2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide

C8H10F2N2O2 — CID 69389760

IUPAC2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(F)(F)C(=O)Nc1cnoc1C
InChIInChI=1S/C8H10F2N2O2/c1-3-8(9,10)7(13)12-6-4-11-14-5(6)2/h4H,3H2,1-2H3,(H,12,13)
InChIKeyNMNBTLPYDQAWHV-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.97
Rot. Bonds3

About 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide

2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide (PubChem CID 69389760) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide
PubChem CID69389760
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide
SMILESCCC(F)(F)C(=O)Nc1cnoc1C
InChIInChI=1S/C8H10F2N2O2/c1-3-8(9,10)7(13)12-6-4-11-14-5(6)2/h4H,3H2,1-2H3,(H,12,13)
InChIKeyNMNBTLPYDQAWHV-UHFFFAOYSA-N
XLogP1.97
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide?
The IUPAC name of 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide (CID 69389760) is 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide.
What is the SMILES notation for 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide?
The canonical SMILES for 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide is CCC(F)(F)C(=O)Nc1cnoc1C.
What is the InChIKey of 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide?
The InChIKey is NMNBTLPYDQAWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-3-8(9,10)7(13)12-6-4-11-14-5(6)2/h4H,3H2,1-2H3,(H,12,13).
What are the key properties of 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide?
2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide has a molecular weight of 204.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide is sourced from PubChem (CID 69389760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).