3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid

C14H14N2O5 — CID 104833014

IUPAC3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1noc(C)c1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H14N2O5/c1-3-9-11(7(2)21-16-9)13(18)15-10-6-4-5-8(12(10)17)14(19)20/h4-6,17H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDWTXQNNKJSZRIX-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.20
Rot. Bonds4

About 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid

3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid (PubChem CID 104833014) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
PubChem CID104833014
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid
SMILESCCc1noc(C)c1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C14H14N2O5/c1-3-9-11(7(2)21-16-9)13(18)15-10-6-4-5-8(12(10)17)14(19)20/h4-6,17H,3H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyDWTXQNNKJSZRIX-UHFFFAOYSA-N
XLogP2.20
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-carbamoylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174299
3-chloro-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107046625
N-[2-(butan-2-ylcarbamoyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18090028
N-(2,3-dichlorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173585
N-(2,3-difluorophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47450846
N-(2-benzylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8023443
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
3-ethyl-5-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 18158437
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357398
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-hydroxybenzoic acid
CID 136712533
N-(5-chloro-2-methylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17174120

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid (CID 104833014) is 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid is CCc1noc(C)c1C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid?
The InChIKey is DWTXQNNKJSZRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-9-11(7(2)21-16-9)13(18)15-10-6-4-5-8(12(10)17)14(19)20/h4-6,17H,3H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid?
3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid has a molecular weight of 290.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104833014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).