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

C21H23N3O2 — CID 24547864

IUPACN-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-9-18(16-10-5-3-6-11-16)22-19(25)14-15-20-23-24-21(26-20)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,22,25)
InChIKeyURPSTZHNPZUQDV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.33
Rot. Bonds8

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

N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 24547864) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID24547864
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-2-9-18(16-10-5-3-6-11-16)22-19(25)14-15-20-23-24-21(26-20)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,22,25)
InChIKeyURPSTZHNPZUQDV-UHFFFAOYSA-N
XLogP4.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 51217058
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 8938536
N-(1-phenylbutyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78797858
4-methoxy-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]butanoic acid
CID 120703097
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150677
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]propanamide
CID 9150689
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55736229
N-(3-methyl-2-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46447071
(2R)-N,4-dimethyl-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]pentanamide
CID 94172403
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[1-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 46478919
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide
CID 24550486
N-[1-(4-methylsulfonylphenyl)ethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24516334

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 24547864) is N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CCCC(NC(=O)CCc1nnc(-c2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is URPSTZHNPZUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-9-18(16-10-5-3-6-11-16)22-19(25)14-15-20-23-24-21(26-20)17-12-7-4-8-13-17/h3-8,10-13,18H,2,9,14-15H2,1H3,(H,22,25).
What are the key properties of N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?
N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 24547864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).