[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate

C19H18F3N5O3 — CID 122505817

IUPAC[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate
SMILESCc1ccc(-c2cc(OC(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3N5O3/c1-11-3-5-13(6-4-11)14-7-15(27-17(19(20,21)22)24-25-26-27)9-16(8-14)30-18(29)23-12(2)10-28/h3-9,12,28H,10H2,1-2H3,(H,23,29)
InChIKeyCAYPVFAKSPJAKY-UHFFFAOYSA-N
MW421.38 g/mol
LogP3.13
Rot. Bonds5

About [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate

[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate (PubChem CID 122505817) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate
PubChem CID122505817
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC Name[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate
SMILESCc1ccc(-c2cc(OC(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)cc1
InChIInChI=1S/C19H18F3N5O3/c1-11-3-5-13(6-4-11)14-7-15(27-17(19(20,21)22)24-25-26-27)9-16(8-14)30-18(29)23-12(2)10-28/h3-9,12,28H,10H2,1-2H3,(H,23,29)
InChIKeyCAYPVFAKSPJAKY-UHFFFAOYSA-N
XLogP3.13
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)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

[(2R,4S)-2-(4-fluoro-2-methylphenyl)-1-[[2-methoxy-5-(5-methyltetrazol-1-yl)phenyl]methyl-methylcarbamoyl]piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 57815051
[(2R,4S)-2-(4-fluoro-2-methylphenyl)-1-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl-methylcarbamoyl]piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 57939611
(3R,4S)-4-[[(1S)-1-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]ethyl]amino]-3-phenylpiperidine-1-carboxylic acid
CID 69350705
(3R,4S)-4-[[(1R)-1-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]ethyl]amino]-3-phenylpiperidine-1-carboxylic acid
CID 69350817
(3R,4S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidine-1-carboxylic acid
CID 69579341
(2S)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-2-phenylpiperidine-1-carboxylic acid
CID 69580216
(3S,4R)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidine-1-carboxylic acid
CID 69581298
4-[[2-Methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidine-1-carboxylic acid
CID 69612300
(3R,4R)-4-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methylamino]-3-phenylpiperidine-1-carboxylic acid
CID 69612301
[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl] N-[2-(3,4-difluorophenyl)ethyl]carbamate
CID 89857812
[3-(2-methoxyphenyl)-5-(tetrazol-1-yl)phenyl] N-[2-(2-fluorophenyl)ethyl]carbamate
CID 89857859
[3-(4-chloro-2-fluorophenyl)-5-(5-propyltetrazol-1-yl)phenyl] N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 122505806

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate?
The IUPAC name of [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate (CID 122505817) is [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate?
The canonical SMILES for [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate is Cc1ccc(-c2cc(OC(=O)NC(C)CO)cc(-n3nnnc3C(F)(F)F)c2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate?
The InChIKey is CAYPVFAKSPJAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-11-3-5-13(6-4-11)14-7-15(27-17(19(20,21)22)24-25-26-27)9-16(8-14)30-18(29)23-12(2)10-28/h3-9,12,28H,10H2,1-2H3,(H,23,29).
What are the key properties of [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate?
[3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate has a molecular weight of 421.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl] N-(1-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 122505817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).