[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone

C21H26F3N3O3 — CID 121378830

IUPAC[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2cccnc2CC(F)(F)F)nc1C(C)(C)O
InChIInChI=1S/C21H26F3N3O3/c1-13-18(20(2,3)29)26-17(30-13)11-14-7-4-5-10-27(14)19(28)15-8-6-9-25-16(15)12-21(22,23)24/h6,8-9,14,29H,4-5,7,10-12H2,1-3H3/t14-/m1/s1
InChIKeyRWSHVZDQBYPTRJ-CQSZACIVSA-N
MW425.45 g/mol
LogP3.95
Rot. Bonds5

About [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone

[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone (PubChem CID 121378830) has the molecular formula C21H26F3N3O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
PubChem CID121378830
Molecular FormulaC21H26F3N3O3
Molecular Weight425.45 g/mol
Exact Mass425.19
IUPAC Name[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone
SMILESCc1oc(C[C@H]2CCCCN2C(=O)c2cccnc2CC(F)(F)F)nc1C(C)(C)O
InChIInChI=1S/C21H26F3N3O3/c1-13-18(20(2,3)29)26-17(30-13)11-14-7-4-5-10-27(14)19(28)15-8-6-9-25-16(15)12-21(22,23)24/h6,8-9,14,29H,4-5,7,10-12H2,1-3H3/t14-/m1/s1
InChIKeyRWSHVZDQBYPTRJ-CQSZACIVSA-N
XLogP3.95
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]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 [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The IUPAC name of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone (CID 121378830) is [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The canonical SMILES for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone is Cc1oc(C[C@H]2CCCCN2C(=O)c2cccnc2CC(F)(F)F)nc1C(C)(C)O.
What is the InChIKey of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
The InChIKey is RWSHVZDQBYPTRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26F3N3O3/c1-13-18(20(2,3)29)26-17(30-13)11-14-7-4-5-10-27(14)19(28)15-8-6-9-25-16(15)12-21(22,23)24/h6,8-9,14,29H,4-5,7,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone?
[(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone has a molecular weight of 425.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]methyl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 121378830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).