3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

C26H25N3O2 — CID 100762308

IUPAC3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C26H25N3O2/c1-18(2)19-12-14-23(15-13-19)27-24(30)16-17-25-28-26(29-31-25)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyUEEIHDNXPDJPCR-UHFFFAOYSA-N
MW411.51 g/mol
LogP6.10
Rot. Bonds7

About 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide

3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 100762308) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
PubChem CID100762308
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1
InChIInChI=1S/C26H25N3O2/c1-18(2)19-12-14-23(15-13-19)27-24(30)16-17-25-28-26(29-31-25)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18H,16-17H2,1-2H3,(H,27,30)
InChIKeyUEEIHDNXPDJPCR-UHFFFAOYSA-N
XLogP6.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-phenylphenyl)propanamide
CID 9192093
N-(4-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762262
N-(4-chlorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762340
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 3826214
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-2-ylpropanamide
CID 31113619
3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 95990367
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
N-(4-propan-2-ylphenyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39892908
N-(2,6-diethylphenyl)-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 31078421
N-[4-(dimethylamino)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 110330622
N-naphthalen-2-yl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9191876

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide (CID 100762308) is 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1.
What is the InChIKey of 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is UEEIHDNXPDJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18(2)19-12-14-23(15-13-19)27-24(30)16-17-25-28-26(29-31-25)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-15,18H,16-17H2,1-2H3,(H,27,30).
What are the key properties of 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide?
3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 411.51 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 100762308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).