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

C15H17ClN2O2 — CID 46087261

IUPACN-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-3-4-9-18(2)15(19)13-10-14(20-17-13)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGXFVKFUREKENAT-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.87
Rot. Bonds5

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

N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 46087261) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID46087261
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C15H17ClN2O2/c1-3-4-9-18(2)15(19)13-10-14(20-17-13)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyGXFVKFUREKENAT-UHFFFAOYSA-N
XLogP3.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-methyl-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 69402172
N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119655530
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089
5-(4-chlorophenyl)-N-(4-fluorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 99842444
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
5-(4-chlorophenyl)-N-[(2R)-2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 39866064
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 16878599
N-[(4-ethylphenyl)methyl]-N-methyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 39428449

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 46087261) is N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is CCCCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GXFVKFUREKENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-4-9-18(2)15(19)13-10-14(20-17-13)11-5-7-12(16)8-6-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).