N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C16H13ClN4O2 — CID 41466780

IUPACN-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-1-3-13(4-2-12)19-14(22)5-6-15-20-16(21-23-15)11-7-9-18-10-8-11/h1-4,7-10H,5-6H2,(H,19,22)
InChIKeyHEDCSLOMMPNQJQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.36
Rot. Bonds5

About N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 41466780) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID41466780
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2/c17-12-1-3-13(4-2-12)19-14(22)5-6-15-20-16(21-23-15)11-7-9-18-10-8-11/h1-4,7-10H,5-6H2,(H,19,22)
InChIKeyHEDCSLOMMPNQJQ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-chlorophenyl)propanamide
CID 100759437
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
N-(4-chlorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 3422358
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 9180330
4-chloro-N'-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]benzohydrazide
CID 41467160
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-iodophenyl)butanamide
CID 39892599
N-(4-chlorophenyl)-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38886325
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N-(3-chloro-4-fluorophenyl)-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100764102

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 41466780) is N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is HEDCSLOMMPNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-12-1-3-13(4-2-12)19-14(22)5-6-15-20-16(21-23-15)11-7-9-18-10-8-11/h1-4,7-10H,5-6H2,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 328.76 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 41466780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).