N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

C25H23N3O2 — CID 46546217

IUPACN-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C(=O)CCc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-28(24(19-11-5-2-6-12-19)20-13-7-3-8-14-20)23(29)18-17-22-26-25(27-30-22)21-15-9-4-10-16-21/h2-16,24H,17-18H2,1H3
InChIKeyPTAPAFLUUXRHMG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.92
Rot. Bonds7

About N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 46546217) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID46546217
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN(C(=O)CCc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-28(24(19-11-5-2-6-12-19)20-13-7-3-8-14-20)23(29)18-17-22-26-25(27-30-22)21-15-9-4-10-16-21/h2-16,24H,17-18H2,1H3
InChIKeyPTAPAFLUUXRHMG-UHFFFAOYSA-N
XLogP4.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 95883023
N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 56905255
2-[methyl-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoic acid
CID 119358642
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192496
3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 83281075
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
N-[2-(dimethylamino)-2-oxoethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9481051
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162
N-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198217
N-[1-(4-chlorophenyl)ethyl]-N-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46588539
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-methoxy-N-methyl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46577796

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 46546217) is N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is CN(C(=O)CCc1nc(-c2ccccc2)no1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PTAPAFLUUXRHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-28(24(19-11-5-2-6-12-19)20-13-7-3-8-14-20)23(29)18-17-22-26-25(27-30-22)21-15-9-4-10-16-21/h2-16,24H,17-18H2,1H3.
What are the key properties of N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 397.48 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 46546217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).