[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

C24H24N6O3 — CID 71566516

IUPAC[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)cc1C
InChIInChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1
InChIKeyBTNLZELUPKRKLO-HXUWFJFHSA-N
MW444.50 g/mol
LogP3.02
Rot. Bonds5

About [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone

[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (PubChem CID 71566516) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
PubChem CID71566516
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)cc1C
InChIInChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1
InChIKeyBTNLZELUPKRKLO-HXUWFJFHSA-N
XLogP3.02
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The IUPAC name of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone (CID 71566516) is [4,5-dimethyl-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 [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone is Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)cc1C.
What is the InChIKey of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
The InChIKey is BTNLZELUPKRKLO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-16-10-21(22(11-17(16)2)30-26-6-7-27-30)24(31)29-8-9-32-14-20(29)13-18-4-3-5-19(12-18)23-25-15-33-28-23/h3-7,10-12,15,20H,8-9,13-14H2,1-2H3/t20-/m1/s1.
What are the key properties of [4,5-dimethyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]methanone?
[4,5-dimethyl-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 444.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethyl-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 71566516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).