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

C14H15FN2O3 — CID 123365476

IUPACphenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
SMILESCC(C)(CF)c1cc(NC(=O)Oc2ccccc2)on1
InChIInChI=1S/C14H15FN2O3/c1-14(2,9-15)11-8-12(20-17-11)16-13(18)19-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyXVMCPHGQKOVCFX-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.53
Rot. Bonds4

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

phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate (PubChem CID 123365476) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
PubChem CID123365476
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namephenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate
SMILESCC(C)(CF)c1cc(NC(=O)Oc2ccccc2)on1
InChIInChI=1S/C14H15FN2O3/c1-14(2,9-15)11-8-12(20-17-11)16-13(18)19-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyXVMCPHGQKOVCFX-UHFFFAOYSA-N
XLogP3.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate?
The IUPAC name of phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate (CID 123365476) is phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate.
What is the SMILES notation for phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate?
The canonical SMILES for phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate is CC(C)(CF)c1cc(NC(=O)Oc2ccccc2)on1.
What is the InChIKey of phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate?
The InChIKey is XVMCPHGQKOVCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-14(2,9-15)11-8-12(20-17-11)16-13(18)19-10-6-4-3-5-7-10/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate?
phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate has a molecular weight of 278.28 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]carbamate is sourced from PubChem (CID 123365476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).