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

C14H14F2N2O3 — CID 87287802

IUPACphenyl N-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILES[2H]c1c(N([2H])C(=O)Oc2ccccc2)noc1C(C)(C([2H])([2H])F)C([2H])([2H])F
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)/i7D,8D2,9D2/hD
InChIKeyJDQCLNBTRQPLGY-OSEZNHODSA-N
MW302.31 g/mol
LogP3.48
Rot. Bonds5

About 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

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 (PubChem CID 87287802) has the molecular formula C14H14F2N2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namephenyl N-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
PubChem CID87287802
Molecular FormulaC14H14F2N2O3
Molecular Weight302.31 g/mol
Exact Mass302.13
IUPAC Namephenyl N-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
SMILES[2H]c1c(N([2H])C(=O)Oc2ccccc2)noc1C(C)(C([2H])([2H])F)C([2H])([2H])F
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)/i7D,8D2,9D2/hD
InChIKeyJDQCLNBTRQPLGY-OSEZNHODSA-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 ≤ 500302.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

phenyl N-[5-(1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66876148
phenyl N-[5-(1,1,3-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate
CID 66894293
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
CID 123365476
phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
CID 66876524
phenyl N-phenoxycarbonylcarbamate
CID 11043392
phenyl N-(5-methyl-1,2-oxazol-3-yl)carbamate
CID 4519264
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
phenyl N-(1,1,2-trifluoroethyl)carbamate
CID 155690482
phenyl N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322766
phenyl N-[5-(2-methylpropyl)-1,2-oxazol-3-yl]carbamate
CID 59394110
phenyl N-(phenoxycarbonylamino)carbamate
CID 14365715
2-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 79793085

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c(N([2H])C(=O)Oc2ccccc2)noc1C(C)(C([2H])([2H])F)C([2H])([2H])F.
What is the InChIKey of 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?
The InChIKey is JDQCLNBTRQPLGY-OSEZNHODSA-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)/i7D,8D2,9D2/hD.
What are the key properties of 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?
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 has a molecular weight of 302.31 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-deuterio-N-[4-deuterio-5-(1,1,3,3-tetradeuterio-1,3-difluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]carbamate is sourced from PubChem (CID 87287802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).