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

C22H24N2O2 — CID 18138486

IUPACN-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCCCCc1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(23-16-8-7-11-18-9-3-1-4-10-18)14-15-22-24-17-20(26-22)19-12-5-2-6-13-19/h1-6,9-10,12-13,17H,7-8,11,14-16H2,(H,23,25)
InChIKeyCZKHRNYUJFBYNC-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.41
Rot. Bonds9

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

N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 18138486) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID18138486
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESO=C(CCc1ncc(-c2ccccc2)o1)NCCCCc1ccccc1
InChIInChI=1S/C22H24N2O2/c25-21(23-16-8-7-11-18-9-3-1-4-10-18)14-15-22-24-17-20(26-22)19-12-5-2-6-13-19/h1-6,9-10,12-13,17H,7-8,11,14-16H2,(H,23,25)
InChIKeyCZKHRNYUJFBYNC-UHFFFAOYSA-N
XLogP4.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-[2-(3-fluorophenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 29478716
3-[2-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]ethyldisulfanyl]propanoic acid
CID 166422727
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[2-(2-methoxyethoxy)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 86985390
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
N-[2-(cyclohexen-1-yl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30133292
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 56706628
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 110889080

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 18138486) is N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is O=C(CCc1ncc(-c2ccccc2)o1)NCCCCc1ccccc1.
What is the InChIKey of N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is CZKHRNYUJFBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(23-16-8-7-11-18-9-3-1-4-10-18)14-15-22-24-17-20(26-22)19-12-5-2-6-13-19/h1-6,9-10,12-13,17H,7-8,11,14-16H2,(H,23,25).
What are the key properties of N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 18138486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).