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

C7H8F2N2O2 — CID 130667985

IUPACN-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(F)F
InChIInChI=1S/C7H8F2N2O2/c1-4-6(11-3-13-4)7(12)10-2-5(8)9/h3,5H,2H2,1H3,(H,10,12)
InChIKeyUZXYCCBLSRAAKC-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.98
Rot. Bonds3

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

N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 130667985) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID130667985
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC NameN-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC(F)F
InChIInChI=1S/C7H8F2N2O2/c1-4-6(11-3-13-4)7(12)10-2-5(8)9/h3,5H,2H2,1H3,(H,10,12)
InChIKeyUZXYCCBLSRAAKC-UHFFFAOYSA-N
XLogP0.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide (CID 130667985) is N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is UZXYCCBLSRAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-6(11-3-13-4)7(12)10-2-5(8)9/h3,5H,2H2,1H3,(H,10,12).
What are the key properties of N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide?
N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 190.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 130667985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).