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

C24H24N6O4 — CID 71565590

IUPAC[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C24H24N6O4/c1-16-3-5-19(21(11-16)30-26-7-8-27-30)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
InChIKeySHBXIINOQJVTRR-GOSISDBHSA-N
MW460.49 g/mol
LogP2.72
Rot. Bonds6

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

[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 71565590) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID71565590
Molecular FormulaC24H24N6O4
Molecular Weight460.49 g/mol
Exact Mass460.19
IUPAC Name[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C24H24N6O4/c1-16-3-5-19(21(11-16)30-26-7-8-27-30)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1
InChIKeySHBXIINOQJVTRR-GOSISDBHSA-N
XLogP2.72
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone (CID 71565590) is [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccc(C)cc2-n2nccn2)cc1-c1ncon1.
What is the InChIKey of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is SHBXIINOQJVTRR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N6O4/c1-16-3-5-19(21(11-16)30-26-7-8-27-30)24(31)29-9-10-33-14-18(29)12-17-4-6-22(32-2)20(13-17)23-25-15-34-28-23/h3-8,11,13,15,18H,9-10,12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 460.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71565590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).