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

C23H22N6O4 — CID 71565518

IUPAC[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/s1
InChIKeyHUPRZYCCDOZRQO-QGZVFWFLSA-N
MW446.47 g/mol
LogP2.41
Rot. Bonds6

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

[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71565518) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[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]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71565518
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1
InChIInChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/s1
InChIKeyHUPRZYCCDOZRQO-QGZVFWFLSA-N
XLogP2.41
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.41
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]-[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]-[2-(triazol-2-yl)phenyl]methanone (CID 71565518) is [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[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]-[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]-[2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1.
What is the InChIKey of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is HUPRZYCCDOZRQO-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-31-21-7-6-16(13-19(21)22-24-15-33-27-22)12-17-14-32-11-10-28(17)23(30)18-4-2-3-5-20(18)29-25-8-9-26-29/h2-9,13,15,17H,10-12,14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[[4-methoxy-3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 446.47 g/mol, XLogP of 2.41, 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]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71565518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).