1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

C17H20F2N2O2 — CID 56866509

IUPAC1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCc1oc(-c2cccc(F)c2F)nc1CN1CCCC(C)(O)C1
InChIInChI=1S/C17H20F2N2O2/c1-11-14(9-21-8-4-7-17(2,22)10-21)20-16(23-11)12-5-3-6-13(18)15(12)19/h3,5-6,22H,4,7-10H2,1-2H3
InChIKeyICQRHMSHBXAMNL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.28
Rot. Bonds3

About 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol

1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (PubChem CID 56866509) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
PubChem CID56866509
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol
SMILESCc1oc(-c2cccc(F)c2F)nc1CN1CCCC(C)(O)C1
InChIInChI=1S/C17H20F2N2O2/c1-11-14(9-21-8-4-7-17(2,22)10-21)20-16(23-11)12-5-3-6-13(18)15(12)19/h3,5-6,22H,4,7-10H2,1-2H3
InChIKeyICQRHMSHBXAMNL-UHFFFAOYSA-N
XLogP3.28
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol 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 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol (CID 56866509) is 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is Cc1oc(-c2cccc(F)c2F)nc1CN1CCCC(C)(O)C1.
What is the InChIKey of 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
The InChIKey is ICQRHMSHBXAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-11-14(9-21-8-4-7-17(2,22)10-21)20-16(23-11)12-5-3-6-13(18)15(12)19/h3,5-6,22H,4,7-10H2,1-2H3.
What are the key properties of 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol?
1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol has a molecular weight of 322.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 56866509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).