3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide

C25H25N3O2 — CID 133244418

IUPAC3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C25H25N3O2/c1-18(14-15-19-8-3-2-4-9-19)26-23(29)16-17-24-27-25(28-30-24)22-13-7-11-20-10-5-6-12-21(20)22/h2-13,18H,14-17H2,1H3,(H,26,29)
InChIKeyBGODBOOSHPEWPM-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.96
Rot. Bonds8

About 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide

3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 133244418) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
PubChem CID133244418
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide
SMILESCC(CCc1ccccc1)NC(=O)CCc1nc(-c2cccc3ccccc23)no1
InChIInChI=1S/C25H25N3O2/c1-18(14-15-19-8-3-2-4-9-19)26-23(29)16-17-24-27-25(28-30-24)22-13-7-11-20-10-5-6-12-21(20)22/h2-13,18H,14-17H2,1H3,(H,26,29)
InChIKeyBGODBOOSHPEWPM-UHFFFAOYSA-N
XLogP4.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761242
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 100757938
N-benzhydryl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100762045
3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenylbutan-2-yl)propanamide
CID 133209751
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-pentan-2-ylpropanamide
CID 133209724
N-(2,6-dimethylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761441
N-(2-methylphenyl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761406
N-[(2-methoxyphenyl)methyl]-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761955
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
N-[(2R)-butan-2-yl]-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762142
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330717
N-cycloheptyl-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 100761277

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide (CID 133244418) is 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide is CC(CCc1ccccc1)NC(=O)CCc1nc(-c2cccc3ccccc23)no1.
What is the InChIKey of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is BGODBOOSHPEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-18(14-15-19-8-3-2-4-9-19)26-23(29)16-17-24-27-25(28-30-24)22-13-7-11-20-10-5-6-12-21(20)22/h2-13,18H,14-17H2,1H3,(H,26,29).
What are the key properties of 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide?
3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 399.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 133244418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).