phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate

C12H10F2N2O3 — CID 66876524

IUPACphenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
SMILESCC(F)(F)c1cc(NC(=O)Oc2ccccc2)on1
InChIInChI=1S/C12H10F2N2O3/c1-12(13,14)9-7-10(19-16-9)15-11(17)18-8-5-3-2-4-6-8/h2-7H,1H3,(H,15,17)
InChIKeyHNJYJARGQNDVDP-UHFFFAOYSA-N
MW268.22 g/mol
LogP3.40
Rot. Bonds3

About phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate

phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate (PubChem CID 66876524) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
PubChem CID66876524
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Namephenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
SMILESCC(F)(F)c1cc(NC(=O)Oc2ccccc2)on1
InChIInChI=1S/C12H10F2N2O3/c1-12(13,14)9-7-10(19-16-9)15-11(17)18-8-5-3-2-4-6-8/h2-7H,1H3,(H,15,17)
InChIKeyHNJYJARGQNDVDP-UHFFFAOYSA-N
XLogP3.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
CID 170545487
phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66894293
phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
CID 169322759
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8549689
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
ethane;N-[3-(2-fluoropropan-2-yl)-1,2-oxazol-5-yl]propanamide
CID 170582956
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(N-methylanilino)acetamide
CID 18087249
[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754882
N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 67953791

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate (CID 66876524) is phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate is CC(F)(F)c1cc(NC(=O)Oc2ccccc2)on1.
What is the InChIKey of phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate?
The InChIKey is HNJYJARGQNDVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-12(13,14)9-7-10(19-16-9)15-11(17)18-8-5-3-2-4-6-8/h2-7H,1H3,(H,15,17).
What are the key properties of phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate?
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate has a molecular weight of 268.22 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate is sourced from PubChem (CID 66876524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).