benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate

C17H14F3N5O2 — CID 59049946

IUPACbenzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(-n2nnnc2C(F)(F)F)c1)OCc1ccccc1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)15-22-23-24-25(15)14-8-4-7-13(9-14)10-21-16(26)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,26)
InChIKeyHCVFCQKXXLACLY-UHFFFAOYSA-N
MW377.33 g/mol
LogP3.11
Rot. Bonds5

About benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate

benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate (PubChem CID 59049946) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate
PubChem CID59049946
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Namebenzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate
SMILESO=C(NCc1cccc(-n2nnnc2C(F)(F)F)c1)OCc1ccccc1
InChIInChI=1S/C17H14F3N5O2/c18-17(19,20)15-22-23-24-25(15)14-8-4-7-13(9-14)10-21-16(26)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,26)
InChIKeyHCVFCQKXXLACLY-UHFFFAOYSA-N
XLogP3.11
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Phenyl-4-((3-(trifluoromethyl)-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyloxy)methyl)piperidine
CID 24785445
4-((3-(5-Methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine
CID 58993452
Tert-butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate
CID 18942152
[2S,3S]-1-tert-butoxycarbonyl-2-phenyl-3-[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenylmethoxy]piperidine
CID 57127052
benzyl 7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 57880413
tert-Butyl 4-((3-(5-methyl-1H-tetrazol-1-yl)-5-(trifluoromethyl)benzyloxy)methyl)-4-phenylpiperidine-1-carboxylate
CID 58993687
tert-Butyl 4-phenyl-4-((3-(trifluoromethyl)-5-(5-(trifluoromethyl)-1H-tetrazol-1-yl)benzyloxy)methyl)piperidine-1-carboxylate
CID 58993691
[3-(tetrazol-1-yl)phenyl]methyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 59708698
Butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate
CID 67634406
4-[[3-(5-Methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine-1-carboxylic acid
CID 68705091
benzyl N-[3-fluoro-4-(1-methyltetrazol-5-yl)phenyl]carbamate
CID 69013918
benzyl 7-[5-(fluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70960491

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate (CID 59049946) is benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate is O=C(NCc1cccc(-n2nnnc2C(F)(F)F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate?
The InChIKey is HCVFCQKXXLACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c18-17(19,20)15-22-23-24-25(15)14-8-4-7-13(9-14)10-21-16(26)27-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,21,26).
What are the key properties of benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate?
benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate has a molecular weight of 377.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]carbamate is sourced from PubChem (CID 59049946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).