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

C12H10F2N2O2 — CID 3851617

IUPACN-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2/c1-6-11(7(2)18-16-6)12(17)15-8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,17)
InChIKeyANBYWDHBZZUZFZ-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.82
Rot. Bonds2

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

N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 3851617) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID3851617
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC NameN-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2/c1-6-11(7(2)18-16-6)12(17)15-8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,17)
InChIKeyANBYWDHBZZUZFZ-UHFFFAOYSA-N
XLogP2.82
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 3851617) is N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ANBYWDHBZZUZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-6-11(7(2)18-16-6)12(17)15-8-3-4-9(13)10(14)5-8/h3-5H,1-2H3,(H,15,17).
What are the key properties of N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 252.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3851617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).