2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

C9H7N3O3 — CID 140579352

IUPAC2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESNC(=O)c1ccccc1-c1noc(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c10-7(13)5-3-1-2-4-6(5)8-11-9(14)15-12-8/h1-4H,(H2,10,13)(H,11,12,14)
InChIKeyMTVFJHKDNMIRQR-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.13
Rot. Bonds2

About 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide

2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 140579352) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
PubChem CID140579352
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
SMILESNC(=O)c1ccccc1-c1noc(=O)[nH]1
InChIInChI=1S/C9H7N3O3/c10-7(13)5-3-1-2-4-6(5)8-11-9(14)15-12-8/h1-4H,(H2,10,13)(H,11,12,14)
InChIKeyMTVFJHKDNMIRQR-UHFFFAOYSA-N
XLogP0.13
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 137094476
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-(1H-imidazol-2-yl)benzamide;hydrate
CID 140783933
2-(1H-imidazo[4,5-b]pyridin-2-yl)benzamide
CID 69046529
3-(1-oxo-3,4-dihydroisochromen-5-yl)-4H-1,2,4-oxadiazol-5-one
CID 154659798
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)-N-phenylbenzamide
CID 167966446
N-[[7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 137159225
2-[2-(1H-pyrazol-5-yl)phenyl]benzamide
CID 69317504
N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
CID 135896368
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]benzamide
CID 130376801

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide (CID 140579352) is 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is NC(=O)c1ccccc1-c1noc(=O)[nH]1.
What is the InChIKey of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is MTVFJHKDNMIRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-7(13)5-3-1-2-4-6(5)8-11-9(14)15-12-8/h1-4H,(H2,10,13)(H,11,12,14).
What are the key properties of 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide?
2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 205.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 140579352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).