1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole

C19H27N3O3 — CID 166354898

IUPAC1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole
SMILESCCOc1ccc(-n2nc(CCOC)nc2CC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-24-17-8-6-15(7-9-17)22-19(11-10-16-5-4-13-25-16)20-18(21-22)12-14-23-2/h6-9,16H,3-5,10-14H2,1-2H3/t16-/m0/s1
InChIKeyGZNLRLGXYYJQKW-INIZCTEOSA-N
MW345.44 g/mol
LogP2.97
Rot. Bonds9

About 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole

1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole (PubChem CID 166354898) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole
PubChem CID166354898
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole
SMILESCCOc1ccc(-n2nc(CCOC)nc2CC[C@@H]2CCCO2)cc1
InChIInChI=1S/C19H27N3O3/c1-3-24-17-8-6-15(7-9-17)22-19(11-10-16-5-4-13-25-16)20-18(21-22)12-14-23-2/h6-9,16H,3-5,10-14H2,1-2H3/t16-/m0/s1
InChIKeyGZNLRLGXYYJQKW-INIZCTEOSA-N
XLogP2.97
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole with MolForge

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-ethyl-5-[2-[(2S)-oxolan-2-yl]ethyl]-1,2,4-triazole
CID 167871490
4-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-1,2,4-triazole
CID 95127690
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
1-(4-ethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 63952921
methyl 4-[3-(oxolan-2-yl)propoxy]benzoate
CID 65158529
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
(5S)-5-(4-ethoxyphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 40995391
(4Z)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(oxolan-2-ylmethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
CID 108634193
5-ethoxy-1-[3-(oxolan-2-yl)propyl]indole
CID 116623986
1-[4-[2-(oxolan-2-yl)ethoxy]phenyl]piperidin-4-amine
CID 65166577
1-(4-ethoxyphenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798299
3,5-diethyl-1-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42820183

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole (CID 166354898) is 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole is CCOc1ccc(-n2nc(CCOC)nc2CC[C@@H]2CCCO2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole?
The InChIKey is GZNLRLGXYYJQKW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-24-17-8-6-15(7-9-17)22-19(11-10-16-5-4-13-25-16)20-18(21-22)12-14-23-2/h6-9,16H,3-5,10-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole?
1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole has a molecular weight of 345.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-methoxyethyl)-5-[2-[(2R)-oxolan-2-yl]ethyl]-1,2,4-triazole is sourced from PubChem (CID 166354898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).