3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

C14H11ClN6O2 — CID 53170403

IUPAC3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1
InChIInChI=1S/C14H11ClN6O2/c15-8-2-1-3-10(6-8)21-7-11(18-20-21)12-17-14(23-19-12)13(22)16-9-4-5-9/h1-3,6-7,9H,4-5H2,(H,16,22)
InChIKeyKVBJQNWKXWMOLB-UHFFFAOYSA-N
MW330.74 g/mol
LogP1.86
Rot. Bonds4

About 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide

3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170403) has the molecular formula C14H11ClN6O2 and a molecular weight of 330.74 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170403
Molecular FormulaC14H11ClN6O2
Molecular Weight330.74 g/mol
Exact Mass330.06
IUPAC Name3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CC1)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1
InChIInChI=1S/C14H11ClN6O2/c15-8-2-1-3-10(6-8)21-7-11(18-20-21)12-17-14(23-19-12)13(22)16-9-4-5-9/h1-3,6-7,9H,4-5H2,(H,16,22)
InChIKeyKVBJQNWKXWMOLB-UHFFFAOYSA-N
XLogP1.86
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.74
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide (CID 53170403) is 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CC1)c1nc(-c2cn(-c3cccc(Cl)c3)nn2)no1.
What is the InChIKey of 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KVBJQNWKXWMOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN6O2/c15-8-2-1-3-10(6-8)21-7-11(18-20-21)12-17-14(23-19-12)13(22)16-9-4-5-9/h1-3,6-7,9H,4-5H2,(H,16,22).
What are the key properties of 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide?
3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 330.74 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)triazol-4-yl]-N-cyclopropyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).