1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol

C26H32FN5O2 — CID 10479626

IUPAC1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESCC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCC(O)CC3)n2)CC1
InChIInChI=1S/C26H32FN5O2/c1-17-2-8-20(9-3-17)29-26-28-13-10-22(30-26)24-23(16-32-14-11-21(33)12-15-32)34-31-25(24)18-4-6-19(27)7-5-18/h4-7,10,13,17,20-21,33H,2-3,8-9,11-12,14-16H2,1H3,(H,28,29,30)
InChIKeyRMMYBVXAYNRHCA-UHFFFAOYSA-N
MW465.57 g/mol
LogP4.89
Rot. Bonds6

About 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol

1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol (PubChem CID 10479626) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol
PubChem CID10479626
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESCC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCC(O)CC3)n2)CC1
InChIInChI=1S/C26H32FN5O2/c1-17-2-8-20(9-3-17)29-26-28-13-10-22(30-26)24-23(16-32-14-11-21(33)12-15-32)34-31-25(24)18-4-6-19(27)7-5-18/h4-7,10,13,17,20-21,33H,2-3,8-9,11-12,14-16H2,1H3,(H,28,29,30)
InChIKeyRMMYBVXAYNRHCA-UHFFFAOYSA-N
XLogP4.89
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-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-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol (CID 10479626) is 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol is CC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCC(O)CC3)n2)CC1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is RMMYBVXAYNRHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-17-2-8-20(9-3-17)29-26-28-13-10-22(30-26)24-23(16-32-14-11-21(33)12-15-32)34-31-25(24)18-4-6-19(27)7-5-18/h4-7,10,13,17,20-21,33H,2-3,8-9,11-12,14-16H2,1H3,(H,28,29,30).
What are the key properties of 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol has a molecular weight of 465.57 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1,2-oxazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 10479626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).