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

C14H14F2N2O3 — CID 66876148

IUPACphenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(CF)(CF)c1cc(NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C14H14F2N2O3/c1-14(8-15,9-16)11-7-12(18-21-11)17-13(19)20-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,17,18,19)
InChIKeyJDQCLNBTRQPLGY-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.48
Rot. Bonds5

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

phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (PubChem CID 66876148) has the molecular formula C14H14F2N2O3 and a molecular weight of 296.27 g/mol. Its IUPAC name is phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
PubChem CID66876148
Molecular FormulaC14H14F2N2O3
Molecular Weight296.27 g/mol
Exact Mass296.10
IUPAC Namephenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILESCC(CF)(CF)c1cc(NC(=O)Oc2ccccc2)no1
InChIInChI=1S/C14H14F2N2O3/c1-14(8-15,9-16)11-7-12(18-21-11)17-13(19)20-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,17,18,19)
InChIKeyJDQCLNBTRQPLGY-UHFFFAOYSA-N
XLogP3.48
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66894293
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 87287802
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
1-[4-(6-amino-3-pyridinyl)phenyl]-3-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 51029614
phenyl N-(1,1,2-trifluoroethyl)carbamate
CID 155690482
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethyl-4-phenoxyphenyl)urea
CID 44565773
phenyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazol-5-yl]carbamate
CID 170545487
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-phenylurea
CID 2813558
phenyl N-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]carbamate
CID 174351013

Frequently Asked Questions

What is the IUPAC name of phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The IUPAC name of phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate (CID 66876148) is phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate.
What is the SMILES notation for phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The canonical SMILES for phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is CC(CF)(CF)c1cc(NC(=O)Oc2ccccc2)no1.
What is the InChIKey of phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
The InChIKey is JDQCLNBTRQPLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O3/c1-14(8-15,9-16)11-7-12(18-21-11)17-13(19)20-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3,(H,17,18,19).
What are the key properties of phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate?
phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate has a molecular weight of 296.27 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 66876148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).