(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine

C18H25FN4O — CID 129343525

IUPAC(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
SMILESCCn1cnnc1[C@H]1CN([C@@H](C)CCc2cccc(F)c2)CCO1
InChIInChI=1S/C18H25FN4O/c1-3-22-13-20-21-18(22)17-12-23(9-10-24-17)14(2)7-8-15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,3,7-10,12H2,1-2H3/t14-,17+/m0/s1
InChIKeyWXCWZZAVTSIFLU-WMLDXEAASA-N
MW332.42 g/mol
LogP2.83
Rot. Bonds6

About (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine

(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine (PubChem CID 129343525) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine.

Molecular Properties

Compound Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
PubChem CID129343525
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine
SMILESCCn1cnnc1[C@H]1CN([C@@H](C)CCc2cccc(F)c2)CCO1
InChIInChI=1S/C18H25FN4O/c1-3-22-13-20-21-18(22)17-12-23(9-10-24-17)14(2)7-8-15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,3,7-10,12H2,1-2H3/t14-,17+/m0/s1
InChIKeyWXCWZZAVTSIFLU-WMLDXEAASA-N
XLogP2.83
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine with MolForge

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Related Compounds

methyl (2R)-4-[(2R)-4-(3-fluorophenyl)butan-2-yl]morpholine-2-carboxylate
CID 98891679
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[3-(3-methoxyphenyl)propyl]morpholine
CID 129344444
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 129335547
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(4-fluorophenyl)propan-1-one
CID 129330853
2-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-5-fluoro-1,3-benzoxazole
CID 129001083
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
CID 129337676
(1S)-2-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-(2-fluorophenyl)ethanol
CID 129331030
(2R)-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129339581
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine?
The IUPAC name of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine (CID 129343525) is (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine.
What is the SMILES notation for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine?
The canonical SMILES for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine is CCn1cnnc1[C@H]1CN([C@@H](C)CCc2cccc(F)c2)CCO1.
What is the InChIKey of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine?
The InChIKey is WXCWZZAVTSIFLU-WMLDXEAASA-N. The full InChI is InChI=1S/C18H25FN4O/c1-3-22-13-20-21-18(22)17-12-23(9-10-24-17)14(2)7-8-15-5-4-6-16(19)11-15/h4-6,11,13-14,17H,3,7-10,12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine?
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine has a molecular weight of 332.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(2S)-4-(3-fluorophenyl)butan-2-yl]morpholine is sourced from PubChem (CID 129343525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).