[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone

C15H16FN3O2 — CID 51487794

IUPAC[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H16FN3O2/c1-11-9-18(6-7-21-11)15(20)14-8-17-10-19(14)13-4-2-12(16)3-5-13/h2-5,8,10-11H,6-7,9H2,1H3/t11-/m0/s1
InChIKeyWGUNGTOMZOCVNM-NSHDSACASA-N
MW289.31 g/mol
LogP1.87
Rot. Bonds2

About [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone

[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (PubChem CID 51487794) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
PubChem CID51487794
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
SMILESC[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCO1
InChIInChI=1S/C15H16FN3O2/c1-11-9-18(6-7-21-11)15(20)14-8-17-10-19(14)13-4-2-12(16)3-5-13/h2-5,8,10-11H,6-7,9H2,1H3/t11-/m0/s1
InChIKeyWGUNGTOMZOCVNM-NSHDSACASA-N
XLogP1.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone (CID 51487794) is [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is C[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)CCO1.
What is the InChIKey of [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
The InChIKey is WGUNGTOMZOCVNM-NSHDSACASA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-11-9-18(6-7-21-11)15(20)14-8-17-10-19(14)13-4-2-12(16)3-5-13/h2-5,8,10-11H,6-7,9H2,1H3/t11-/m0/s1.
What are the key properties of [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone?
[3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone has a molecular weight of 289.31 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)imidazol-4-yl]-[(2S)-2-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 51487794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).