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

C16H13ClN4O2 — CID 22521072

IUPACN-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H13ClN4O2/c17-13-5-3-11(4-6-13)7-9-19-15(22)16-20-14(21-23-16)12-2-1-8-18-10-12/h1-6,8,10H,7,9H2,(H,19,22)
InChIKeyMCESATBKEYRIGF-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.76
Rot. Bonds5

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

N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22521072) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID22521072
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1
InChIInChI=1S/C16H13ClN4O2/c17-13-5-3-11(4-6-13)7-9-19-15(22)16-20-14(21-23-16)12-2-1-8-18-10-12/h1-6,8,10H,7,9H2,(H,19,22)
InChIKeyMCESATBKEYRIGF-UHFFFAOYSA-N
XLogP2.76
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[(2-chlorophenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521078
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-3-carboxamide
CID 4898022
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 6625714
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451
N-[(3-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521077
3-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083235
4-chloro-5-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 119074643
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083223
3-phenyl-N-[2-(pyrazine-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16764583
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106001
3-(5-chloro-2-methoxyphenyl)-N-[2-(pyridine-3-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765835

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide (CID 22521072) is N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1nc(-c2cccnc2)no1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MCESATBKEYRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-13-5-3-11(4-6-13)7-9-19-15(22)16-20-14(21-23-16)12-2-1-8-18-10-12/h1-6,8,10H,7,9H2,(H,19,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22521072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).