1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one

C17H21FN4O2 — CID 129330853

IUPAC1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCCn1cnnc1[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H21FN4O2/c1-2-21-12-19-20-17(21)15-11-22(9-10-24-15)16(23)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,12,15H,2,5,8-11H2,1H3/t15-/m0/s1
InChIKeyIMGUGCLVBUDSBZ-HNNXBMFYSA-N
MW332.38 g/mol
LogP1.97
Rot. Bonds5

About 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one

1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one (PubChem CID 129330853) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
PubChem CID129330853
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
SMILESCCn1cnnc1[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCO1
InChIInChI=1S/C17H21FN4O2/c1-2-21-12-19-20-17(21)15-11-22(9-10-24-15)16(23)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,12,15H,2,5,8-11H2,1H3/t15-/m0/s1
InChIKeyIMGUGCLVBUDSBZ-HNNXBMFYSA-N
XLogP1.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one with MolForge

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Related Compounds

(5-chlorofuran-2-yl)-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129341204
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]benzonitrile
CID 134044332
1-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-(4-methylphenoxy)ethanone
CID 129006398
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333213
2,3-dihydro-1-benzofuran-3-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128968193
(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
(2-chloro-3-methylphenyl)-[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129333852
1,3-benzodioxol-5-yl-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129339118
2,3-dihydro-1H-inden-4-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 128998279
[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indol-6-yl)methanone
CID 129330839

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one (CID 129330853) is 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one is CCn1cnnc1[C@@H]1CN(C(=O)CCc2ccc(F)cc2)CCO1.
What is the InChIKey of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one?
The InChIKey is IMGUGCLVBUDSBZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-2-21-12-19-20-17(21)15-11-22(9-10-24-15)16(23)8-5-13-3-6-14(18)7-4-13/h3-4,6-7,12,15H,2,5,8-11H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one?
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one has a molecular weight of 332.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 129330853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).