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

C21H22N2O3 — CID 162644438

IUPAC5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCc1oc(=O)n(C(=O)NCCCCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)23(21(25)26-16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24)
InChIKeyFQJWXYMMHTUCKS-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.00
Rot. Bonds6

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

5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162644438) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162644438
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCc1oc(=O)n(C(=O)NCCCCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)23(21(25)26-16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24)
InChIKeyFQJWXYMMHTUCKS-UHFFFAOYSA-N
XLogP4.00
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162644438) is 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is Cc1oc(=O)n(C(=O)NCCCCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is FQJWXYMMHTUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-16-19(18-13-6-3-7-14-18)23(21(25)26-16)20(24)22-15-9-8-12-17-10-4-2-5-11-17/h2-7,10-11,13-14H,8-9,12,15H2,1H3,(H,22,24).
What are the key properties of 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162644438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).