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

C24H21N3O2 — CID 9192496

IUPACN-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-21(16-17-22-26-24(27-29-22)20-14-8-3-9-15-20)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,23H,16-17H2,(H,25,28)
InChIKeyGOJBHBLOGYJVBP-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.57
Rot. Bonds7

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

N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 9192496) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID9192496
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccc2)no1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21N3O2/c28-21(16-17-22-26-24(27-29-22)20-14-8-3-9-15-20)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,23H,16-17H2,(H,25,28)
InChIKeyGOJBHBLOGYJVBP-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756426
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 100762131
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 110204727
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 27660244
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100759256
3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1-phenylethyl]propanamide
CID 100763831
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9181339
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 31110120
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9152122

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide (CID 9192496) is N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccc2)no1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GOJBHBLOGYJVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-21(16-17-22-26-24(27-29-22)20-14-8-3-9-15-20)25-23(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-15,23H,16-17H2,(H,25,28).
What are the key properties of N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide?
N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 383.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 9192496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).