[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

C21H25FN6O3 — CID 121314149

IUPAC[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESCc1noc(-c2ccc(F)cc2C(=O)N2C[C@H](n3ncc(C(C)(C)O)n3)CC[C@H]2C)n1
InChIInChI=1S/C21H25FN6O3/c1-12-5-7-15(28-23-10-18(25-28)21(3,4)30)11-27(12)20(29)17-9-14(22)6-8-16(17)19-24-13(2)26-31-19/h6,8-10,12,15,30H,5,7,11H2,1-4H3/t12-,15-/m1/s1
InChIKeyGOOQWIPMUUENAO-IUODEOHRSA-N
MW428.47 g/mol
LogP2.87
Rot. Bonds4

About [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone

[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (PubChem CID 121314149) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
PubChem CID121314149
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC Name[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone
SMILESCc1noc(-c2ccc(F)cc2C(=O)N2C[C@H](n3ncc(C(C)(C)O)n3)CC[C@H]2C)n1
InChIInChI=1S/C21H25FN6O3/c1-12-5-7-15(28-23-10-18(25-28)21(3,4)30)11-27(12)20(29)17-9-14(22)6-8-16(17)19-24-13(2)26-31-19/h6,8-10,12,15,30H,5,7,11H2,1-4H3/t12-,15-/m1/s1
InChIKeyGOOQWIPMUUENAO-IUODEOHRSA-N
XLogP2.87
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone (CID 121314149) is [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is Cc1noc(-c2ccc(F)cc2C(=O)N2C[C@H](n3ncc(C(C)(C)O)n3)CC[C@H]2C)n1.
What is the InChIKey of [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
The InChIKey is GOOQWIPMUUENAO-IUODEOHRSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-12-5-7-15(28-23-10-18(25-28)21(3,4)30)11-27(12)20(29)17-9-14(22)6-8-16(17)19-24-13(2)26-31-19/h6,8-10,12,15,30H,5,7,11H2,1-4H3/t12-,15-/m1/s1.
What are the key properties of [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone?
[5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone has a molecular weight of 428.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)triazol-2-yl]-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 121314149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).