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

C12H12F2N2O2 — CID 57291743

IUPACN-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)NC1ONC(c2ccc(F)c(F)c2)=C1C
InChIInChI=1S/C12H12F2N2O2/c1-6-11(16-18-12(6)15-7(2)17)8-3-4-9(13)10(14)5-8/h3-5,12,16H,1-2H3,(H,15,17)
InChIKeyAOBABZBAWOYVPJ-UHFFFAOYSA-N
MW254.24 g/mol
LogP1.69
Rot. Bonds2

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

N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 57291743) has the molecular formula C12H12F2N2O2 and a molecular weight of 254.24 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID57291743
Molecular FormulaC12H12F2N2O2
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC NameN-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)NC1ONC(c2ccc(F)c(F)c2)=C1C
InChIInChI=1S/C12H12F2N2O2/c1-6-11(16-18-12(6)15-7(2)17)8-3-4-9(13)10(14)5-8/h3-5,12,16H,1-2H3,(H,15,17)
InChIKeyAOBABZBAWOYVPJ-UHFFFAOYSA-N
XLogP1.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 57291743) is N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide is CC(=O)NC1ONC(c2ccc(F)c(F)c2)=C1C.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is AOBABZBAWOYVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O2/c1-6-11(16-18-12(6)15-7(2)17)8-3-4-9(13)10(14)5-8/h3-5,12,16H,1-2H3,(H,15,17).
What are the key properties of N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide?
N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 254.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 57291743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).