[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate

C16H12F3N5O2 — CID 59708698

IUPAC[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)12-4-2-5-13(8-12)21-15(25)26-9-11-3-1-6-14(7-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25)
InChIKeyPXSVZMZJHMUXPS-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.43
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate

[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 59708698) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID59708698
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1cccc(C(F)(F)F)c1)OCc1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)12-4-2-5-13(8-12)21-15(25)26-9-11-3-1-6-14(7-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25)
InChIKeyPXSVZMZJHMUXPS-UHFFFAOYSA-N
XLogP3.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate (CID 59708698) is [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate is O=C(Nc1cccc(C(F)(F)F)c1)OCc1cccc(-n2cnnn2)c1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is PXSVZMZJHMUXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)12-4-2-5-13(8-12)21-15(25)26-9-11-3-1-6-14(7-11)24-10-20-22-23-24/h1-8,10H,9H2,(H,21,25).
What are the key properties of [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate?
[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 363.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 59708698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).