(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine

C22H26N4O2 — CID 97445359

IUPAC(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1ccccc1-n1nc(CCc2ccccc2)nc1C[C@H]1CNCCO1
InChIInChI=1S/C22H26N4O2/c1-27-20-10-6-5-9-19(20)26-22(15-18-16-23-13-14-28-18)24-21(25-26)12-11-17-7-3-2-4-8-17/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1
InChIKeyFVXHRCPODLETJA-SFHVURJKSA-N
MW378.48 g/mol
LogP2.59
Rot. Bonds7

About (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine

(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 97445359) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID97445359
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCOc1ccccc1-n1nc(CCc2ccccc2)nc1C[C@H]1CNCCO1
InChIInChI=1S/C22H26N4O2/c1-27-20-10-6-5-9-19(20)26-22(15-18-16-23-13-14-28-18)24-21(25-26)12-11-17-7-3-2-4-8-17/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1
InChIKeyFVXHRCPODLETJA-SFHVURJKSA-N
XLogP2.59
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine with MolForge

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Related Compounds

(2R)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97445358
(2R)-2-[(2-methoxyphenyl)methyl]morpholine
CID 58689699
(2R)-2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95224109
2-[[2-(3-methyl-4-pyridinyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]morpholine;hydrochloride
CID 171686957
2-methoxybenzenethiol;2-[(4-methylphenyl)methyl]morpholine
CID 142864910
(2R)-2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120834209
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
CID 19424036
2-[[2-(4-methoxyphenyl)-5-(2-methyl-1,3-thiazol-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 72881736
2-[[4-(4-benzylpiperidin-1-yl)-2-[2-(3-methoxyphenyl)ethyl]benzimidazol-1-yl]methyl]morpholine
CID 44525832
4-methoxy-2-(morpholin-2-ylmethyl)naphthalen-1-ol
CID 70584076
3-[2-[2-(2-methoxyphenyl)-5-(2-methylpropyl)-1,2,4-triazol-3-yl]ethyl]oxolan-2-one
CID 50983362
2-[[1-(4-fluorophenyl)-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 175553104

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine (CID 97445359) is (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine is COc1ccccc1-n1nc(CCc2ccccc2)nc1C[C@H]1CNCCO1.
What is the InChIKey of (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is FVXHRCPODLETJA-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-20-10-6-5-9-19(20)26-22(15-18-16-23-13-14-28-18)24-21(25-26)12-11-17-7-3-2-4-8-17/h2-10,18,23H,11-16H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine?
(2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 378.48 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methoxyphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 97445359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).