2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide

C17H16N4O3 — CID 94813808

IUPAC2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(-c2ccccn2)noc1=O)c1ccccc1
InChIInChI=1S/C17H16N4O3/c1-12(13-7-3-2-4-8-13)19-15(22)11-21-16(20-24-17(21)23)14-9-5-6-10-18-14/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyWHZWBAXHJGYKEX-LBPRGKRZSA-N
MW324.34 g/mol
LogP1.78
Rot. Bonds5

About 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide

2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 94813808) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide
PubChem CID94813808
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)Cn1c(-c2ccccn2)noc1=O)c1ccccc1
InChIInChI=1S/C17H16N4O3/c1-12(13-7-3-2-4-8-13)19-15(22)11-21-16(20-24-17(21)23)14-9-5-6-10-18-14/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyWHZWBAXHJGYKEX-LBPRGKRZSA-N
XLogP1.78
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-[(3S)-5-methyl-2-oxo-1-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)hexan-3-yl]-3-phenylprop-2-enamide
CID 91364251
N-[1-(furan-2-yl)ethyl]-2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetamide
CID 71935095
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539350
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(1-phenylethyl)acetamide
CID 108794915
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52751080
2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134028629
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
CID 110005318
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
2-(5-oxo-3-thiophen-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylbutyl]acetamide
CID 52794526
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide (CID 94813808) is 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)Cn1c(-c2ccccn2)noc1=O)c1ccccc1.
What is the InChIKey of 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is WHZWBAXHJGYKEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-12(13-7-3-2-4-8-13)19-15(22)11-21-16(20-24-17(21)23)14-9-5-6-10-18-14/h2-10,12H,11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide?
2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 324.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 94813808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).