[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

C21H21FN4O3 — CID 126783270

IUPAC[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCOC(c4n[nH]c(C)n4)C3)c(F)c2)cc1
InChIInChI=1S/C21H21FN4O3/c1-13-23-20(25-24-13)19-12-26(9-10-29-19)21(27)17-8-5-15(11-18(17)22)14-3-6-16(28-2)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,23,24,25)
InChIKeyGLEGAUWMLLFHQF-UHFFFAOYSA-N
MW396.42 g/mol
LogP3.14
Rot. Bonds4

About [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (PubChem CID 126783270) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
PubChem CID126783270
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCOC(c4n[nH]c(C)n4)C3)c(F)c2)cc1
InChIInChI=1S/C21H21FN4O3/c1-13-23-20(25-24-13)19-12-26(9-10-29-19)21(27)17-8-5-15(11-18(17)22)14-3-6-16(28-2)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,23,24,25)
InChIKeyGLEGAUWMLLFHQF-UHFFFAOYSA-N
XLogP3.14
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 56750315
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
(3R)-1-[2-fluoro-4-(4-methoxyphenyl)benzoyl]pyrrolidine-3-carboxamide
CID 95760054
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511624
(4-aminopiperidin-1-yl)-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119375419
(1,2-dimethylbenzimidazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511895
1,4-diazepan-1-yl-[2-fluoro-4-(4-methoxyphenyl)phenyl]methanone
CID 119417023
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
[2-(1-aminoethyl)morpholin-4-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103807823
2-ethyl-6-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholine-4-carbonyl]pyridazin-3-one
CID 95779711
[2-(4-methoxyphenyl)morpholin-4-yl]-(5-methyl-1H-indazol-7-yl)methanone
CID 166249087
(5-fluoro-2-methoxyphenyl)-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 124963745

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The IUPAC name of [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone (CID 126783270) is [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The canonical SMILES for [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is COc1ccc(-c2ccc(C(=O)N3CCOC(c4n[nH]c(C)n4)C3)c(F)c2)cc1.
What is the InChIKey of [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
The InChIKey is GLEGAUWMLLFHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13-23-20(25-24-13)19-12-26(9-10-29-19)21(27)17-8-5-15(11-18(17)22)14-3-6-16(28-2)7-4-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,23,24,25).
What are the key properties of [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone?
[2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone has a molecular weight of 396.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-methoxyphenyl)phenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126783270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).