5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C13H13ClN4O2 — CID 102791051

IUPAC5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(CNc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O2/c14-8-2-1-3-10(6-8)15-7-11-17-12(18-20-11)13(19)16-9-4-5-9/h1-3,6,9,15H,4-5,7H2,(H,16,19)
InChIKeyGENBTDZOVHPINJ-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.23
Rot. Bonds5

About 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791051) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791051
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(NC1CC1)c1noc(CNc2cccc(Cl)c2)n1
InChIInChI=1S/C13H13ClN4O2/c14-8-2-1-3-10(6-8)15-7-11-17-12(18-20-11)13(19)16-9-4-5-9/h1-3,6,9,15H,4-5,7H2,(H,16,19)
InChIKeyGENBTDZOVHPINJ-UHFFFAOYSA-N
XLogP2.23
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
3-chloro-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837591
3-chloro-N-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 116806728
N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
3-chloro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837251
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
2-N-(3-chlorophenyl)-6-N-cyclopentylpyridine-2,6-dicarboxamide
CID 109095035
3-(3-chloroanilino)-N-cycloheptylpropanamide
CID 109031475
3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 63548246
5-(anilinomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790051
N'-(3-chlorophenyl)-N-cyclopropylethane-1,2-diamine
CID 62559395
N-cyclopropyl-5-(2,3-dihydro-1H-indol-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102791072

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 102791051) is 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is O=C(NC1CC1)c1noc(CNc2cccc(Cl)c2)n1.
What is the InChIKey of 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is GENBTDZOVHPINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-8-2-1-3-10(6-8)15-7-11-17-12(18-20-11)13(19)16-9-4-5-9/h1-3,6,9,15H,4-5,7H2,(H,16,19).
What are the key properties of 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).