3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

C16H13ClN4O2 — CID 2000557

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccnc1
InChIInChI=1S/C16H13ClN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyRMKWCDJMSXCWTQ-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.36
Rot. Bonds5

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (PubChem CID 2000557) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
PubChem CID2000557
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
SMILESO=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccnc1
InChIInChI=1S/C16H13ClN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22)
InChIKeyRMKWCDJMSXCWTQ-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide (CID 2000557) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccnc1.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is RMKWCDJMSXCWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-13-6-2-1-5-12(13)16-20-15(23-21-16)8-7-14(22)19-11-4-3-9-18-10-11/h1-6,9-10H,7-8H2,(H,19,22).
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide 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 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 2000557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).