[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone

C21H21FN4O2 — CID 55913771

IUPAC[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2C)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-3-9-18(10-4-14)26-15(2)20(23-24-26)21(27)25-11-12-28-19(13-25)16-5-7-17(22)8-6-16/h3-10,19H,11-13H2,1-2H3
InChIKeyLKXOSSIVOOLYOP-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.24
Rot. Bonds3

About [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone

[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone (PubChem CID 55913771) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
PubChem CID55913771
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone
SMILESCc1ccc(-n2nnc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2C)cc1
InChIInChI=1S/C21H21FN4O2/c1-14-3-9-18(10-4-14)26-15(2)20(23-24-26)21(27)25-11-12-28-19(13-25)16-5-7-17(22)8-6-16/h3-10,19H,11-13H2,1-2H3
InChIKeyLKXOSSIVOOLYOP-UHFFFAOYSA-N
XLogP3.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone (CID 55913771) is [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone is Cc1ccc(-n2nnc(C(=O)N3CCOC(c4ccc(F)cc4)C3)c2C)cc1.
What is the InChIKey of [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone?
The InChIKey is LKXOSSIVOOLYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-14-3-9-18(10-4-14)26-15(2)20(23-24-26)21(27)25-11-12-28-19(13-25)16-5-7-17(22)8-6-16/h3-10,19H,11-13H2,1-2H3.
What are the key properties of [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone?
[2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone has a molecular weight of 380.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)morpholin-4-yl]-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 55913771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).