[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

C21H21FN4O2 — CID 126787424

IUPAC[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccccc3Cn3cncn3)CCO2)ccc1F
InChIInChI=1S/C21H21FN4O2/c1-15-10-16(6-7-19(15)22)20-12-25(8-9-28-20)21(27)18-5-3-2-4-17(18)11-26-14-23-13-24-26/h2-7,10,13-14,20H,8-9,11-12H2,1H3
InChIKeyCPVIYXNTMWDKOA-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.99
Rot. Bonds4

About [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (PubChem CID 126787424) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
PubChem CID126787424
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccccc3Cn3cncn3)CCO2)ccc1F
InChIInChI=1S/C21H21FN4O2/c1-15-10-16(6-7-19(15)22)20-12-25(8-9-28-20)21(27)18-5-3-2-4-17(18)11-26-14-23-13-24-26/h2-7,10,13-14,20H,8-9,11-12H2,1H3
InChIKeyCPVIYXNTMWDKOA-UHFFFAOYSA-N
XLogP2.99
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

(2S)-2-ethyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]morpholine-4-carboxamide
CID 94030790
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
CID 126780059
1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 75395432
[4-(1-aminoethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone;hydrochloride
CID 119520428
(2-fluorophenyl)-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327171
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone;hydrochloride
CID 120744051
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
1-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 95180594
(2R)-2-(4-fluoro-3-methylphenyl)-4-(pyrimidin-2-ylmethyl)morpholine
CID 129402014
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
[2-(4-methylphenyl)morpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121134814
(2-methoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 110326509

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone (CID 126787424) is [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is Cc1cc(C2CN(C(=O)c3ccccc3Cn3cncn3)CCO2)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
The InChIKey is CPVIYXNTMWDKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-10-16(6-7-19(15)22)20-12-25(8-9-28-20)21(27)18-5-3-2-4-17(18)11-26-14-23-13-24-26/h2-7,10,13-14,20H,8-9,11-12H2,1H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone?
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone has a molecular weight of 380.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 126787424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).