[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

C20H20N4O2 — CID 96551221

IUPAC[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESC[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C20H20N4O2/c1-15-12-26-19(16-6-3-2-4-7-16)11-23(15)20(25)17-8-5-9-18(10-17)24-14-21-13-22-24/h2-10,13-15,19H,11-12H2,1H3/t15-,19-/m0/s1
InChIKeyRUMIKHPERFQUFG-KXBFYZLASA-N
MW348.41 g/mol
LogP2.87
Rot. Bonds3

About [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone

[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone (PubChem CID 96551221) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
PubChem CID96551221
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
SMILESC[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cncn2)c1
InChIInChI=1S/C20H20N4O2/c1-15-12-26-19(16-6-3-2-4-7-16)11-23(15)20(25)17-8-5-9-18(10-17)24-14-21-13-22-24/h2-10,13-15,19H,11-12H2,1H3/t15-,19-/m0/s1
InChIKeyRUMIKHPERFQUFG-KXBFYZLASA-N
XLogP2.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[5-methyl-2-(4-methylphenyl)morpholin-4-yl]-(3-methylphenyl)methanone
CID 110369456
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124590395
(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369319
(3,5-dimethoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369324
(4-methoxyphenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369323
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
(3R)-2-[3-(1,2,4-triazol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 124702364
ethane;3-(1,2,4-triazol-1-yl)benzoic acid
CID 168912092
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97184797
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The IUPAC name of [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone (CID 96551221) is [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The canonical SMILES for [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone is C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccc(-n2cncn2)c1.
What is the InChIKey of [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
The InChIKey is RUMIKHPERFQUFG-KXBFYZLASA-N. The full InChI is InChI=1S/C20H20N4O2/c1-15-12-26-19(16-6-3-2-4-7-16)11-23(15)20(25)17-8-5-9-18(10-17)24-14-21-13-22-24/h2-10,13-15,19H,11-12H2,1H3/t15-,19-/m0/s1.
What are the key properties of [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone?
[(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-methyl-2-phenylmorpholin-4-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone is sourced from PubChem (CID 96551221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).