3-benzyl-1,2,4-oxadiazole-5-carboxamide

C10H9N3O2 — CID 151177709

IUPAC3-benzyl-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H9N3O2/c11-9(14)10-12-8(13-15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyNDPQZUDRZGDHFC-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.76
Rot. Bonds3

About 3-benzyl-1,2,4-oxadiazole-5-carboxamide

3-benzyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 151177709) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-benzyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-benzyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID151177709
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-benzyl-1,2,4-oxadiazole-5-carboxamide
SMILESNC(=O)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C10H9N3O2/c11-9(14)10-12-8(13-15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14)
InChIKeyNDPQZUDRZGDHFC-UHFFFAOYSA-N
XLogP0.76
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxylate
CID 63358352
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-2-methylbutanoic acid
CID 103500383
1-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63346783
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346618
1-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63345474
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62808217
3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 96592622
ethyl 2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methylbutanoate
CID 79481197
[3-amino-3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]carbamic acid
CID 138689155
1-[3-[(2-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 63344609
(R)-(3-benzyl-1,2,4-oxadiazol-5-yl)-phenylmethanamine
CID 29272835

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-benzyl-1,2,4-oxadiazole-5-carboxamide (CID 151177709) is 3-benzyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-benzyl-1,2,4-oxadiazole-5-carboxamide is NC(=O)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 3-benzyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NDPQZUDRZGDHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-9(14)10-12-8(13-15-10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,14).
What are the key properties of 3-benzyl-1,2,4-oxadiazole-5-carboxamide?
3-benzyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 203.20 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 151177709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).