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

C18H13F3N2O3 — CID 156694299

IUPACbenzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)OCc1ccccc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)15-11-25-16(22-15)23-17(24)26-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyLLAYKIWPKMWASK-UHFFFAOYSA-N
MW362.31 g/mol
LogP5.11
Rot. Bonds4

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

benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate (PubChem CID 156694299) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
PubChem CID156694299
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Namebenzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate
SMILESO=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)OCc1ccccc1
InChIInChI=1S/C18H13F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)15-11-25-16(22-15)23-17(24)26-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24)
InChIKeyLLAYKIWPKMWASK-UHFFFAOYSA-N
XLogP5.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.31
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1E,3Z)-1-N'-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]penta-1,3-diene-1,1,4-triamine
CID 155585306
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
[4-(trifluoromethyl)phenyl]methyl N-(4-hydroxyphenyl)carbamate
CID 101044688
benzyl N-[[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599100
benzyl N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 119005534
benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate
CID 137347580
benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 825900
benzyl N-(1-amino-2,2,2-trifluoroethyl)carbamate
CID 45036579
benzyl N-[(2S,3S)-3-methyl-1-oxo-1-[4-(trifluoromethyl)anilino]pentan-2-yl]carbamate
CID 7611160
methyl 6-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-2-carboxylate
CID 70701214
methyl 5-(phenylmethoxycarbonylamino)-6-(trifluoromethyl)pyridine-2-carboxylate
CID 164543105
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate?
The IUPAC name of benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate (CID 156694299) is benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate.
What is the SMILES notation for benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate?
The canonical SMILES for benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate is O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)co1)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate?
The InChIKey is LLAYKIWPKMWASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O3/c19-18(20,21)14-8-6-13(7-9-14)15-11-25-16(22-15)23-17(24)26-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,22,23,24).
What are the key properties of benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate?
benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate has a molecular weight of 362.31 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamate is sourced from PubChem (CID 156694299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).