3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

C18H18N4O2 — CID 91917678

IUPAC3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1noc(-c2cccnc2)n1
InChIInChI=1S/C18H18N4O2/c23-17(9-8-14-5-2-1-3-6-14)20-12-10-16-21-18(24-22-16)15-7-4-11-19-13-15/h1-7,11,13H,8-10,12H2,(H,20,23)
InChIKeyWLAZNFDSXBNFPQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.42
Rot. Bonds7

About 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 91917678) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID91917678
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESO=C(CCc1ccccc1)NCCc1noc(-c2cccnc2)n1
InChIInChI=1S/C18H18N4O2/c23-17(9-8-14-5-2-1-3-6-14)20-12-10-16-21-18(24-22-16)15-7-4-11-19-13-15/h1-7,11,13H,8-10,12H2,(H,20,23)
InChIKeyWLAZNFDSXBNFPQ-UHFFFAOYSA-N
XLogP2.42
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 30768847
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
3-(4-methyl-1,3-thiazol-5-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 70769500
3-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]propanamide;hydrochloride
CID 119317568
N-[2-(4-fluorophenyl)ethyl]-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330385
N-(2-phenylethyl)-4-pyridin-3-ylbutanamide
CID 110410890
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
N-[4-[(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 16680997
5-methyl-4-[(2-methylphenoxy)methyl]-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 91917698
5-phenyl-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 110169330
N-(2-phenylethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7404095
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 91917678) is 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is O=C(CCc1ccccc1)NCCc1noc(-c2cccnc2)n1.
What is the InChIKey of 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is WLAZNFDSXBNFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-17(9-8-14-5-2-1-3-6-14)20-12-10-16-21-18(24-22-16)15-7-4-11-19-13-15/h1-7,11,13H,8-10,12H2,(H,20,23).
What are the key properties of 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 91917678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).