N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide

C20H19ClN2O2 — CID 53382909

IUPACN-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-2-3-13-22-19(24)17-18(14-9-11-16(21)12-10-14)25-20(23-17)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,22,24)
InChIKeyJIRYWVSLTSGJIL-UHFFFAOYSA-N
MW354.84 g/mol
LogP5.19
Rot. Bonds6

About N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide

N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 53382909) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID53382909
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O2/c1-2-3-13-22-19(24)17-18(14-9-11-16(21)12-10-14)25-20(23-17)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,22,24)
InChIKeyJIRYWVSLTSGJIL-UHFFFAOYSA-N
XLogP5.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.84
LogP ≤ 55.19
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

2-(decanoylamino)-5-[3-[(2,5-diphenyl-1,3-oxazole-4-carbonyl)amino]propylamino]-5-oxopentanoic acid
CID 101061868
N-butyl-2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 53382912
N-[2-(4-chlorophenyl)-5-phenyl-1,3-oxazol-4-yl]acetamide
CID 14269261
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
N-pentyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605190
N-butyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175374
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
N-butyl-4-phenylbenzamide
CID 3637649
8-[(2-methyl-5-phenyl-1,3-oxazole-4-carbonyl)amino]octanoic acid
CID 120535696
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 53382909) is N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide is CCCCNC(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is JIRYWVSLTSGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-2-3-13-22-19(24)17-18(14-9-11-16(21)12-10-14)25-20(23-17)15-7-5-4-6-8-15/h4-12H,2-3,13H2,1H3,(H,22,24).
What are the key properties of N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide?
N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-chlorophenyl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53382909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).