benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate

C13H8F3N3O3 — CID 137347580

IUPACbenzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate
SMILESN#Cc1nc(C(F)(F)F)oc1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)11-18-9(6-17)10(22-11)19-12(20)21-7-8-4-2-1-3-5-8/h1-5H,7H2,(H,19,20)
InChIKeyNMRBFNPZNQNYKT-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.31
Rot. Bonds3

About benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate

benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate (PubChem CID 137347580) has the molecular formula C13H8F3N3O3 and a molecular weight of 311.22 g/mol. Its IUPAC name is benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate
PubChem CID137347580
Molecular FormulaC13H8F3N3O3
Molecular Weight311.22 g/mol
Exact Mass311.05
IUPAC Namebenzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate
SMILESN#Cc1nc(C(F)(F)F)oc1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H8F3N3O3/c14-13(15,16)11-18-9(6-17)10(22-11)19-12(20)21-7-8-4-2-1-3-5-8/h1-5H,7H2,(H,19,20)
InChIKeyNMRBFNPZNQNYKT-UHFFFAOYSA-N
XLogP3.31
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
CID 135394527
benzyl 4-methyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 56930138
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
CID 156694299
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
CID 118384306
CID 118384306
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
benzyl N-(2-cyano-1,3-difluoropropan-2-yl)carbamate
CID 118336450
methyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoate
CID 11077150
benzyl N-[4-(trifluoromethyl)isoquinolin-5-yl]carbamate
CID 91286717

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate?
The IUPAC name of benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate (CID 137347580) is benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate.
What is the SMILES notation for benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate?
The canonical SMILES for benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate is N#Cc1nc(C(F)(F)F)oc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate?
The InChIKey is NMRBFNPZNQNYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O3/c14-13(15,16)11-18-9(6-17)10(22-11)19-12(20)21-7-8-4-2-1-3-5-8/h1-5H,7H2,(H,19,20).
What are the key properties of benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate?
benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate has a molecular weight of 311.22 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate is sourced from PubChem (CID 137347580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).