N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide

C15H18N2O2 — CID 110649323

IUPACN-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnoc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-4-10-17(2)15(18)13-11-16-19-14(13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPKRYHIHNUDUARQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.21
Rot. Bonds5

About N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide

N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 110649323) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID110649323
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnoc1-c1ccccc1
InChIInChI=1S/C15H18N2O2/c1-3-4-10-17(2)15(18)13-11-16-19-14(13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3
InChIKeyPKRYHIHNUDUARQ-UHFFFAOYSA-N
XLogP3.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide
CID 110649327
N-methyl-N,5-diphenyl-1,2-oxazole-4-carboxamide
CID 110649623
N-methyl-5-(4-methylphenyl)-N-phenyl-1,2-oxazole-4-carboxamide
CID 110649624
N-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 110693619
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-butyl-N,3-dimethylpyridine-4-carboxamide
CID 110855737
N-butyl-N-methyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52773193
N-(5-hydroxypentyl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide
CID 107202129
N-butyl-N-methyl-2-phenyltriazole-4-carboxamide
CID 110702374
3-[butyl(methyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369089

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide (CID 110649323) is N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide is CCCCN(C)C(=O)c1cnoc1-c1ccccc1.
What is the InChIKey of N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is PKRYHIHNUDUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-4-10-17(2)15(18)13-11-16-19-14(13)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide?
N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110649323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).