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

C15H16F2N2O2 — CID 110649327

IUPACN-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O2/c1-3-4-7-19(2)15(20)11-9-18-21-14(11)10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNPTRHLOJMAMHSE-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.49
Rot. Bonds5

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

N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide (PubChem CID 110649327) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide
PubChem CID110649327
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC NameN-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide
SMILESCCCCN(C)C(=O)c1cnoc1-c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2O2/c1-3-4-7-19(2)15(20)11-9-18-21-14(11)10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyNPTRHLOJMAMHSE-UHFFFAOYSA-N
XLogP3.49
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 110649323
5-(3,4-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1,2-oxazole-4-carboxamide
CID 110647673
5-(3,4-difluorophenyl)-N-[(4-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647993
N-butyl-N-methyl-1,2-oxazole-5-carboxamide
CID 110693619
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
5-(3,4-difluorophenyl)-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 110648349
N-butyl-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 46087261
[5-(3,4-difluorophenyl)-1,2-oxazol-4-yl]-piperidin-1-ylmethanone
CID 110647460
5-amino-N-butyl-2,4-difluoro-N-methylbenzamide
CID 61091185
N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
N-butyl-2-(ethylamino)-5-fluoro-N-methylpyridine-3-carboxamide
CID 114034849

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide (CID 110649327) is N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide is CCCCN(C)C(=O)c1cnoc1-c1ccc(F)c(F)c1.
What is the InChIKey of N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NPTRHLOJMAMHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-3-4-7-19(2)15(20)11-9-18-21-14(11)10-5-6-12(16)13(17)8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide?
N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 294.30 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3,4-difluorophenyl)-N-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 110649327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).