5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

C21H22N2O4 — CID 162663658

IUPAC5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cn(C(=O)NCCCCc2ccccc2)c(=O)o1
InChIInChI=1S/C21H22N2O4/c1-26-18-13-6-5-12-17(18)19-15-23(21(25)27-19)20(24)22-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,22,24)
InChIKeyJIZLUPKLBZCXHY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.70
Rot. Bonds7

About 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide

5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162663658) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162663658
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cn(C(=O)NCCCCc2ccccc2)c(=O)o1
InChIInChI=1S/C21H22N2O4/c1-26-18-13-6-5-12-17(18)19-15-23(21(25)27-19)20(24)22-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,22,24)
InChIKeyJIZLUPKLBZCXHY-UHFFFAOYSA-N
XLogP3.70
TPSA73.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162656601
5-(1-methylpiperidin-4-yl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
CID 162655749
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
2-[2-(2-methoxyphenyl)ethylamino]-N-(3-phenylpropyl)acetamide
CID 109000620
[2,4-dioxo-1-(7-phenylheptylcarbamoyl)pyrimidin-5-yl] acetate
CID 162666025
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
N-[2-(2-methoxyphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790238
6-fluoro-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
CID 118513804
2-[[5-(2-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 29156008
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
butyl N-(5-phenylpentyl)carbamate
CID 69404409
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethoxyphenyl)ethyl]urea
CID 113217263

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162663658) is 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is COc1ccccc1-c1cn(C(=O)NCCCCc2ccccc2)c(=O)o1.
What is the InChIKey of 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is JIZLUPKLBZCXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-18-13-6-5-12-17(18)19-15-23(21(25)27-19)20(24)22-14-8-7-11-16-9-3-2-4-10-16/h2-6,9-10,12-13,15H,7-8,11,14H2,1H3,(H,22,24).
What are the key properties of 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162663658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).