2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid

C14H14N2O4 — CID 104601623

IUPAC2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1noc(NC(=O)Cc2ccccc2C(=O)O)c1C
InChIInChI=1S/C14H14N2O4/c1-8-9(2)16-20-13(8)15-12(17)7-10-5-3-4-6-11(10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNANZYRPPODVKJC-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.17
Rot. Bonds4

About 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 104601623) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID104601623
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
SMILESCc1noc(NC(=O)Cc2ccccc2C(=O)O)c1C
InChIInChI=1S/C14H14N2O4/c1-8-9(2)16-20-13(8)15-12(17)7-10-5-3-4-6-11(10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNANZYRPPODVKJC-UHFFFAOYSA-N
XLogP2.17
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
2-bromo-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 113339739
(2R)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65487960
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-phenylacetamide
CID 65485859
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-hydroxybenzamide
CID 113386525
(2S)-2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-phenylbutanamide
CID 104984517
2-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzoic acid
CID 113431532
2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzoic acid
CID 104601339
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid (CID 104601623) is 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid is Cc1noc(NC(=O)Cc2ccccc2C(=O)O)c1C.
What is the InChIKey of 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is NANZYRPPODVKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-8-9(2)16-20-13(8)15-12(17)7-10-5-3-4-6-11(10)14(18)19/h3-6H,7H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 274.28 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 104601623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).