4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine

C16H20F3N5O2 — CID 3229145

IUPAC4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOCCn1nnnc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H20F3N5O2/c1-25-9-8-24-15(20-21-22-24)14(23-6-10-26-11-7-23)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3
InChIKeyZNCBYMPLLHFCPV-UHFFFAOYSA-N
MW371.36 g/mol
LogP1.76
Rot. Bonds6

About 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine

4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 3229145) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID3229145
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine
SMILESCOCCn1nnnc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H20F3N5O2/c1-25-9-8-24-15(20-21-22-24)14(23-6-10-26-11-7-23)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3
InChIKeyZNCBYMPLLHFCPV-UHFFFAOYSA-N
XLogP1.76
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine 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-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)benzyl)morpholine
CID 44159523
4-[[5-(4-Tert-butylphenyl)-1-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 151608461
1-[(1-Benzyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 646451
1-[(1-tert-Butyl-1H-tetrazol-5-yl)-(3-trifluoromethyl-phenyl)-methyl]-4-methyl-piperazine
CID 650233
1-Benzyl-4-[(4-methylphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209543
1-[(1-Tert-butyltetrazol-5-yl)-[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 3229248
1-Methyl-4-{[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazine
CID 6602545
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6602589
[(1-Cyclohexyl-1H-tetrazol-5-yl)-p-tolyl-methyl]-diethyl-amine
CID 6602764
4-Benzyl-1-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperidine
CID 6603490
1-{[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-methyl-piperazine
CID 6603646
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-pentyl}-piperazine
CID 9549374

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine (CID 3229145) is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine is COCCn1nnnc1C(c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is ZNCBYMPLLHFCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-25-9-8-24-15(20-21-22-24)14(23-6-10-26-11-7-23)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3.
What are the key properties of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 371.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 3229145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).