2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

C7H8F2N2O2 — CID 130978196

IUPAC2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CNC(=O)C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-4-5(11-3-13-4)2-10-7(12)6(8)9/h3,6H,2H2,1H3,(H,10,12)
InChIKeyXUJZYGYTQDNDQI-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.86
Rot. Bonds3

About 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide

2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (PubChem CID 130978196) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
PubChem CID130978196
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
SMILESCc1ocnc1CNC(=O)C(F)F
InChIInChI=1S/C7H8F2N2O2/c1-4-5(11-3-13-4)2-10-7(12)6(8)9/h3,6H,2H2,1H3,(H,10,12)
InChIKeyXUJZYGYTQDNDQI-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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-1,3-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide (CID 130978196) is 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide is Cc1ocnc1CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
The InChIKey is XUJZYGYTQDNDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-5(11-3-13-4)2-10-7(12)6(8)9/h3,6H,2H2,1H3,(H,10,12).
What are the key properties of 2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide?
2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide has a molecular weight of 190.15 g/mol, XLogP of 0.86, 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-1,3-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 130978196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).