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

C21H22N2O3 — CID 162659926

IUPACN-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C21H22N2O3/c1-22(15-9-8-12-17-10-4-2-5-11-17)20(24)23-16-19(26-21(23)25)18-13-6-3-7-14-18/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3
InChIKeyVKEFXKGQRNFBPJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.03
Rot. Bonds6

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

N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (PubChem CID 162659926) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
PubChem CID162659926
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide
SMILESCN(CCCCc1ccccc1)C(=O)n1cc(-c2ccccc2)oc1=O
InChIInChI=1S/C21H22N2O3/c1-22(15-9-8-12-17-10-4-2-5-11-17)20(24)23-16-19(26-21(23)25)18-13-6-3-7-14-18/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3
InChIKeyVKEFXKGQRNFBPJ-UHFFFAOYSA-N
XLogP4.03
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.03
H-Bond Donors ≤ 50
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 N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide (CID 162659926) is N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is CN(CCCCc1ccccc1)C(=O)n1cc(-c2ccccc2)oc1=O.
What is the InChIKey of N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
The InChIKey is VKEFXKGQRNFBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22(15-9-8-12-17-10-4-2-5-11-17)20(24)23-16-19(26-21(23)25)18-13-6-3-7-14-18/h2-7,10-11,13-14,16H,8-9,12,15H2,1H3.
What are the key properties of N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide?
N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-5-phenyl-N-(4-phenylbutyl)-1,3-oxazole-3-carboxamide is sourced from PubChem (CID 162659926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).