[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

C23H22N6O3 — CID 71566514

IUPAC[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c1-n1nccn1
InChIInChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1
InChIKeyUGPJDNRZMHMMDB-LJQANCHMSA-N
MW430.47 g/mol
LogP2.71
Rot. Bonds5

About [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71566514) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71566514
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c1-n1nccn1
InChIInChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1
InChIKeyUGPJDNRZMHMMDB-LJQANCHMSA-N
XLogP2.71
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71566514) is [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c1-n1nccn1.
What is the InChIKey of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is UGPJDNRZMHMMDB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-16-4-2-7-20(21(16)29-25-8-9-26-29)23(30)28-10-11-31-14-19(28)13-17-5-3-6-18(12-17)22-24-15-32-27-22/h2-9,12,15,19H,10-11,13-14H2,1H3/t19-/m1/s1.
What are the key properties of [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
[3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone has a molecular weight of 430.47 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 71566514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).