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

C14H14F2N2O2 — CID 5308890

IUPACN-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C14H14F2N2O2/c1-8(2)5-10-7-13(18-20-10)14(19)17-12-4-3-9(15)6-11(12)16/h3-4,6-8H,5H2,1-2H3,(H,17,19)
InChIKeyAFNGJFWOMTXPRO-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.40
Rot. Bonds4

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

N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 5308890) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID5308890
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC NameN-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1
InChIInChI=1S/C14H14F2N2O2/c1-8(2)5-10-7-13(18-20-10)14(19)17-12-4-3-9(15)6-11(12)16/h3-4,6-8H,5H2,1-2H3,(H,17,19)
InChIKeyAFNGJFWOMTXPRO-UHFFFAOYSA-N
XLogP3.40
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2-(trifluoromethyl)phenyl)-
CID 3073007
T56-LIMKi
CID 9438169
N-cyclopentyl-5-(4-fluorophenyl)isoxazole-3-carboxamide
CID 17252686
N-(4-ethylphenyl)-5-propyl-3-isoxazolecarboxamide
CID 17253304
3-Isoxazolecarboxamide, 5-methyl-N-(2-(phenylmethyl)phenyl)-
CID 1246614
3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
3,4-Dimethyl-6-[3-(trifluoromethyl)phenyl]-6,7-dihydroisoxazolo[3,4-d]pyridazin-7-one
CID 2745188
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-(3,4-dimethylphenyl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3571869
N-(3-hydroxyphenyl)-5-isobutylisoxazole-3-carboxamide
CID 16194030
5-methyl-4-nitro-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864724
5-methyl-4-nitro-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 20864725

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 5308890) is N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AFNGJFWOMTXPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-8(2)5-10-7-13(18-20-10)14(19)17-12-4-3-9(15)6-11(12)16/h3-4,6-8H,5H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 280.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).