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

C15H11ClN4O2 — CID 22521078

IUPACN-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H11ClN4O2/c16-12-6-2-1-4-10(12)9-18-14(21)15-19-13(20-22-15)11-5-3-7-17-8-11/h1-8H,9H2,(H,18,21)
InChIKeyRHQXPWNHKJYMGP-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.71
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22521078) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID22521078
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC NameN-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nc(-c2cccnc2)no1
InChIInChI=1S/C15H11ClN4O2/c16-12-6-2-1-4-10(12)9-18-14(21)15-19-13(20-22-15)11-5-3-7-17-8-11/h1-8H,9H2,(H,18,21)
InChIKeyRHQXPWNHKJYMGP-UHFFFAOYSA-N
XLogP2.71
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(2-chlorophenyl)propanoate
CID 71900087
3-phenyl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472637
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
N'-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 44998655
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]pyridine-3-carboxamide
CID 110705421
N-[(2-chlorophenyl)methyl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 50759593

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (CID 22521078) is N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCc1ccccc1Cl)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RHQXPWNHKJYMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-12-6-2-1-4-10(12)9-18-14(21)15-19-13(20-22-15)11-5-3-7-17-8-11/h1-8H,9H2,(H,18,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22521078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).