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

C25H30FN5O2 — CID 10366560

IUPAC1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C25H30FN5O2/c26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19/h6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29)
InChIKeyPSBVQQNSRBOMAG-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.64
Rot. Bonds6

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

1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol (PubChem CID 10366560) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
PubChem CID10366560
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C25H30FN5O2/c26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19/h6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29)
InChIKeyPSBVQQNSRBOMAG-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 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol (CID 10366560) is 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol is OC1CCN(Cc2onc(-c3ccc(F)cc3)c2-c2ccnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
The InChIKey is PSBVQQNSRBOMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c26-18-8-6-17(7-9-18)24-23(22(33-30-24)16-31-14-11-20(32)12-15-31)21-10-13-27-25(29-21)28-19-4-2-1-3-5-19/h6-10,13,19-20,32H,1-5,11-12,14-16H2,(H,27,28,29).
What are the key properties of 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol?
1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-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 1-[[4-[2-(cyclohexylamino)pyrimidin-4-yl]-3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 10366560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).