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

C10H9N3O3 — CID 137094476

IUPAC2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1Cc1noc(=O)[nH]1
InChIInChI=1S/C10H9N3O3/c11-9(14)7-4-2-1-3-6(7)5-8-12-10(15)16-13-8/h1-4H,5H2,(H2,11,14)(H,12,13,15)
InChIKeyXVTCRZBUCUEOBO-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.05
Rot. Bonds3

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

2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 137094476) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID137094476
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESNC(=O)c1ccccc1Cc1noc(=O)[nH]1
InChIInChI=1S/C10H9N3O3/c11-9(14)7-4-2-1-3-6(7)5-8-12-10(15)16-13-8/h1-4H,5H2,(H2,11,14)(H,12,13,15)
InChIKeyXVTCRZBUCUEOBO-UHFFFAOYSA-N
XLogP0.05
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
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2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetic acid
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2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
2-(2-phenoxyethyl)benzamide
CID 68945309
2-[2-(methylamino)ethyl]benzamide
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2-[(2Z)-2-amino-2-hydroxyiminoethyl]benzamide
CID 164703528
benzene;(2-carbamoylphenyl)methyl formate
CID 174940813
2-[2-[1-(2-carbamoylphenyl)-2-methylpropan-2-yl]sulfanyl-2-methylpropyl]benzamide
CID 156768959
2-(dibromomethoxymethyl)benzamide
CID 142794227
CID 67588186
CID 67588186
benzene-1,2-dicarboxamide;hydrazine
CID 158131121

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 137094476) is 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide is NC(=O)c1ccccc1Cc1noc(=O)[nH]1.
What is the InChIKey of 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is XVTCRZBUCUEOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-9(14)7-4-2-1-3-6(7)5-8-12-10(15)16-13-8/h1-4H,5H2,(H2,11,14)(H,12,13,15).
What are the key properties of 2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 219.20 g/mol, XLogP of 0.05, 3 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)methyl]benzamide is sourced from PubChem (CID 137094476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).