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

C27H27N3O2 — CID 83281075

IUPAC3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-21(23-13-7-3-8-14-23)30(26(31)18-17-22-11-5-2-6-12-22)20-19-25-28-27(29-32-25)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3
InChIKeyINTFPTSUMWDAHP-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.50
Rot. Bonds9

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

3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 83281075) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID83281075
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESCC(c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1
InChIInChI=1S/C27H27N3O2/c1-21(23-13-7-3-8-14-23)30(26(31)18-17-22-11-5-2-6-12-22)20-19-25-28-27(29-32-25)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3
InChIKeyINTFPTSUMWDAHP-UHFFFAOYSA-N
XLogP5.50
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methyl-N-(1-phenylethyl)butanamide
CID 83280002
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-butan-2-yl-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83281472
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 83281058
N-ethyl-3-phenyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 8836343
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenyl-N-propan-2-ylpropanamide
CID 1250310
3-methyl-N-(2-phenylethyl)-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 83280014
N-(2-methylpropyl)-N-[2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 83280228
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593250
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-3-phenylpropanamide
CID 8836361

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 83281075) is 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is CC(c1ccccc1)N(CCc1nc(-c2ccccc2)no1)C(=O)CCc1ccccc1.
What is the InChIKey of 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is INTFPTSUMWDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-21(23-13-7-3-8-14-23)30(26(31)18-17-22-11-5-2-6-12-22)20-19-25-28-27(29-32-25)24-15-9-4-10-16-24/h2-16,21H,17-20H2,1H3.
What are the key properties of 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 425.53 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(1-phenylethyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 83281075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).