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

C25H30FN5O2 — CID 10389114

IUPAC4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCCCC3)n2)CC1
InChIInChI=1S/C25H30FN5O2/c26-18-6-4-17(5-7-18)24-23(22(33-30-24)16-31-14-2-1-3-15-31)21-12-13-27-25(29-21)28-19-8-10-20(32)11-9-19/h4-7,12-13,19-20,32H,1-3,8-11,14-16H2,(H,27,28,29)
InChIKeyZCIVPTSEJUGFHT-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.64
Rot. Bonds6

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

4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 10389114) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID10389114
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCCCC3)n2)CC1
InChIInChI=1S/C25H30FN5O2/c26-18-6-4-17(5-7-18)24-23(22(33-30-24)16-31-14-2-1-3-15-31)21-12-13-27-25(29-21)28-19-8-10-20(32)11-9-19/h4-7,12-13,19-20,32H,1-3,8-11,14-16H2,(H,27,28,29)
InChIKeyZCIVPTSEJUGFHT-UHFFFAOYSA-N
XLogP4.64
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 10389114) is 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)noc3CN3CCCCC3)n2)CC1.
What is the InChIKey of 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is ZCIVPTSEJUGFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c26-18-6-4-17(5-7-18)24-23(22(33-30-24)16-31-14-2-1-3-15-31)21-12-13-27-25(29-21)28-19-8-10-20(32)11-9-19/h4-7,12-13,19-20,32H,1-3,8-11,14-16H2,(H,27,28,29).
What are the key properties of 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 451.55 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 10389114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).