Name: Name:4-Isoxazolecarboxylicacid, 3,5-diethyl-
Brand: Angene
SKU: AG00702R
Rating: 90 (10 reviews)

4-Isoxazolecarboxylicacid, 3,5-diethyl-

CAS No.:

216700-85-5

Catalog Number:

AG00702R

Molecular Formula:

C8H11NO3

Molecular Weight:

169.1778

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Product Description

Catalog Number:

AG00702R

Chemical Name:

4-Isoxazolecarboxylicacid, 3,5-diethyl-

CAS Number:

216700-85-5

Molecular Formula:

C8H11NO3

Molecular Weight:

169.1778

MDL Number:

MFCD04117280

IUPAC Name:

3,5-diethyl-1,2-oxazole-4-carboxylic acid

InChI:

InChI=1S/C8H11NO3/c1-3-5-7(8(10)11)6(4-2)12-9-5/h3-4H2,1-2H3,(H,10,11)

InChI Key:

BLZLCWBWUXIGQV-UHFFFAOYSA-N

SMILES:

CCc1onc(c1C(=O)O)CC

Properties

Complexity:

172

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.18g/mol

Monoisotopic Mass:

169.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101