2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C13H11N3O4 — CID 60940960

IUPAC2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H11N3O4/c17-11(9-5-10(9)13(18)19)15-8-3-1-7(2-4-8)12-16-14-6-20-12/h1-4,6,9-10H,5H2,(H,15,17)(H,18,19)
InChIKeyHLVKPCVNCGGQLB-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.40
Rot. Bonds4

About 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60940960) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60940960
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1ccc(-c2nnco2)cc1
InChIInChI=1S/C13H11N3O4/c17-11(9-5-10(9)13(18)19)15-8-3-1-7(2-4-8)12-16-14-6-20-12/h1-4,6,9-10H,5H2,(H,15,17)(H,18,19)
InChIKeyHLVKPCVNCGGQLB-UHFFFAOYSA-N
XLogP1.40
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic 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

N-[4-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 61275565
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61275962
N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107435761
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
2-bromo-2-methyl-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 114328432
4-methyl-2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390370
[4-(1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169355998
2-(cyclopropylmethylamino)-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 61274985
2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329014
N-(4-chlorophenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9073204
cis-(1R,2S)-2-[[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129401772

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 60940960) is 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HLVKPCVNCGGQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-11(9-5-10(9)13(18)19)15-8-3-1-7(2-4-8)12-16-14-6-20-12/h1-4,6,9-10H,5H2,(H,15,17)(H,18,19).
What are the key properties of 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60940960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).