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

C12H12F2N2O2 — CID 11054195

IUPACN-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C12H12F2N2O2/c1-7(17)15-6-9-5-12(16-18-9)8-2-3-10(13)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyILAXHJZSXVYITI-SECBINFHSA-N
MW254.24 g/mol
LogP1.59
Rot. Bonds3

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

N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 11054195) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID11054195
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1
InChIInChI=1S/C12H12F2N2O2/c1-7(17)15-6-9-5-12(16-18-9)8-2-3-10(13)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyILAXHJZSXVYITI-SECBINFHSA-N
XLogP1.59
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 11054195) is N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CC(c2ccc(F)c(F)c2)=NO1.
What is the InChIKey of N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is ILAXHJZSXVYITI-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-7(17)15-6-9-5-12(16-18-9)8-2-3-10(13)11(14)4-8/h2-4,9H,5-6H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 254.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3,4-difluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 11054195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).