2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid

C18H15N3O4 — CID 56762098

IUPAC2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
SMILESCc1nnc(-c2ccccc2NC(=O)Cc2ccccc2C(=O)O)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-17(25-11)14-8-4-5-9-15(14)19-16(22)10-12-6-2-3-7-13(12)18(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24)
InChIKeyIIZRLPSWLCHTLW-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.92
Rot. Bonds5

About 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid

2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid (PubChem CID 56762098) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
PubChem CID56762098
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
SMILESCc1nnc(-c2ccccc2NC(=O)Cc2ccccc2C(=O)O)o1
InChIInChI=1S/C18H15N3O4/c1-11-20-21-17(25-11)14-8-4-5-9-15(14)19-16(22)10-12-6-2-3-7-13(12)18(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24)
InChIKeyIIZRLPSWLCHTLW-UHFFFAOYSA-N
XLogP2.92
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
CID 135634456
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 43700063
3-(cyclopropylamino)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 60867247
(2S,3S)-2-amino-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pentanamide
CID 61155830
4-cyclohexyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 56813876
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyloxolan-2-yl)propanamide
CID 71925845
2-(azetidin-3-ylidene)-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 116675171
2-[2-(4-methylanilino)-2-oxoethyl]benzoic acid
CID 12558883
1-chloro-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methanesulfonamide
CID 63666407
2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]benzoic acid
CID 104601623
N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-phenylacetamide
CID 110725539
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 78982597

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid (CID 56762098) is 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid is Cc1nnc(-c2ccccc2NC(=O)Cc2ccccc2C(=O)O)o1.
What is the InChIKey of 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid?
The InChIKey is IIZRLPSWLCHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11-20-21-17(25-11)14-8-4-5-9-15(14)19-16(22)10-12-6-2-3-7-13(12)18(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid?
2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid has a molecular weight of 337.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 56762098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).