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

C14H9ClN4O2 — CID 22520979

IUPACN-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H9ClN4O2/c15-10-2-1-3-11(8-10)17-13(20)14-18-12(19-21-14)9-4-6-16-7-5-9/h1-8H,(H,17,20)
InChIKeyUGZDTEPNPZLLNK-UHFFFAOYSA-N
MW300.71 g/mol
LogP3.04
Rot. Bonds3

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

N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 22520979) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID22520979
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC NameN-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1nc(-c2ccncc2)no1
InChIInChI=1S/C14H9ClN4O2/c15-10-2-1-3-11(8-10)17-13(20)14-18-12(19-21-14)9-4-6-16-7-5-9/h1-8H,(H,17,20)
InChIKeyUGZDTEPNPZLLNK-UHFFFAOYSA-N
XLogP3.04
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978
3-chloro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837251
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
N-[2-[(3-chlorobenzoyl)amino]ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083223
N-(3-chlorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81443324
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
N-(3-chlorophenyl)-5-methyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 53001782
N-(3-chlorophenyl)-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 137026775
3-(3-chlorophenyl)-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083702
4-chloro-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 81225135
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
N-(3-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetamide
CID 8708537

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide (CID 22520979) is N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1nc(-c2ccncc2)no1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UGZDTEPNPZLLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-10-2-1-3-11(8-10)17-13(20)14-18-12(19-21-14)9-4-6-16-7-5-9/h1-8H,(H,17,20).
What are the key properties of N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide?
N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 300.71 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 22520979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).