4-benzamido-1,2,5-oxadiazole-3-carboxylic acid

C10H7N3O4 — CID 84614613

IUPAC4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(Nc1nonc1C(=O)O)c1ccccc1
InChIInChI=1S/C10H7N3O4/c14-9(6-4-2-1-3-5-6)11-8-7(10(15)16)12-17-13-8/h1-5H,(H,15,16)(H,11,13,14)
InChIKeyIMOKUDOUQJJMBD-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.02
Rot. Bonds3

About 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid

4-benzamido-1,2,5-oxadiazole-3-carboxylic acid (PubChem CID 84614613) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
PubChem CID84614613
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name4-benzamido-1,2,5-oxadiazole-3-carboxylic acid
SMILESO=C(Nc1nonc1C(=O)O)c1ccccc1
InChIInChI=1S/C10H7N3O4/c14-9(6-4-2-1-3-5-6)11-8-7(10(15)16)12-17-13-8/h1-5H,(H,15,16)(H,11,13,14)
InChIKeyIMOKUDOUQJJMBD-UHFFFAOYSA-N
XLogP1.02
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,2,5-oxadiazol-3-yl)benzamide
CID 5048432
N-(6-benzamido-[1,2]thiazolo[5,4-d][1,2]thiazol-3-yl)benzamide
CID 14289002
4-amino-N-(2-benzamidoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 4316930
5-benzamido-1,3-thiazole-4-carboxylic acid
CID 69246207
N-[4-[N'-(3-bromo-4-fluorophenyl)carbamimidoyl]-1,2,5-oxadiazol-3-yl]-4-phenylbenzamide
CID 70642311
N-(4-amino-1,2,5-oxadiazol-3-yl)-4-chlorobenzamide
CID 4916245
3-bromo-N-(4-methyl-1,2,5-oxadiazol-3-yl)benzamide
CID 23992514
N-pyrimidin-2-ylbenzamide
CID 638481
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
7-benzamido-2,1,3-benzoxadiazole-4-sulfonic acid
CID 10567625
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid?
The IUPAC name of 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid (CID 84614613) is 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid?
The canonical SMILES for 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid is O=C(Nc1nonc1C(=O)O)c1ccccc1.
What is the InChIKey of 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid?
The InChIKey is IMOKUDOUQJJMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-9(6-4-2-1-3-5-6)11-8-7(10(15)16)12-17-13-8/h1-5H,(H,15,16)(H,11,13,14).
What are the key properties of 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid?
4-benzamido-1,2,5-oxadiazole-3-carboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-1,2,5-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 84614613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).