1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol

C20H24N4O2 — CID 70749340

IUPAC1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol
SMILESCCc1nc2c(N3CCC(C(O)Cc4ccccc4)CC3)ncnc2o1
InChIInChI=1S/C20H24N4O2/c1-2-17-23-18-19(21-13-22-20(18)26-17)24-10-8-15(9-11-24)16(25)12-14-6-4-3-5-7-14/h3-7,13,15-16,25H,2,8-12H2,1H3
InChIKeyCJGZPDAPTIXTMU-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.00
Rot. Bonds5

About 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol

1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol (PubChem CID 70749340) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol.

Molecular Properties

Compound Name1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol
PubChem CID70749340
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol
SMILESCCc1nc2c(N3CCC(C(O)Cc4ccccc4)CC3)ncnc2o1
InChIInChI=1S/C20H24N4O2/c1-2-17-23-18-19(21-13-22-20(18)26-17)24-10-8-15(9-11-24)16(25)12-14-6-4-3-5-7-14/h3-7,13,15-16,25H,2,8-12H2,1H3
InChIKeyCJGZPDAPTIXTMU-UHFFFAOYSA-N
XLogP3.00
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol 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-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol?
The IUPAC name of 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol (CID 70749340) is 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol.
What is the SMILES notation for 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol?
The canonical SMILES for 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol is CCc1nc2c(N3CCC(C(O)Cc4ccccc4)CC3)ncnc2o1.
What is the InChIKey of 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol?
The InChIKey is CJGZPDAPTIXTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-17-23-18-19(21-13-22-20(18)26-17)24-10-8-15(9-11-24)16(25)12-14-6-4-3-5-7-14/h3-7,13,15-16,25H,2,8-12H2,1H3.
What are the key properties of 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol?
1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol has a molecular weight of 352.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-4-yl]-2-phenylethanol is sourced from PubChem (CID 70749340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).