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

C18H18N4O2 — CID 93072769

IUPAC3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C18H18N4O2/c1-13(20-16(23)11-10-14-7-3-2-4-8-14)18-21-17(22-24-18)15-9-5-6-12-19-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyQMLDSGRNVMVBGL-CYBMUJFWSA-N
MW322.37 g/mol
LogP2.94
Rot. Bonds6

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

3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 93072769) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID93072769
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C18H18N4O2/c1-13(20-16(23)11-10-14-7-3-2-4-8-14)18-21-17(22-24-18)15-9-5-6-12-19-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyQMLDSGRNVMVBGL-CYBMUJFWSA-N
XLogP2.94
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methyltetrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 118788261
N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-4-(tetrazol-1-yl)butanamide
CID 118796031
(2R)-4-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 119363928
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 91787339
methyl 3-methyl-2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoate
CID 78867875
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46487083
2-(dimethylamino)-4-methyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-5-carboxamide
CID 97192441
8-fluoro-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]quinoline-2-carboxamide
CID 97133752
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-[1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 118795980
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 93072769) is 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is C[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccccn2)no1.
What is the InChIKey of 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is QMLDSGRNVMVBGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13(20-16(23)11-10-14-7-3-2-4-8-14)18-21-17(22-24-18)15-9-5-6-12-19-15/h2-9,12-13H,10-11H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 322.37 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1R)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 93072769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).