N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

C25H30FN5O — CID 10025992

IUPACN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C25H30FN5O/c26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20/h9-14,20H,1-8,15-17H2,(H,27,28,29)
InChIKeyXFBJDWKGSTXDFK-UHFFFAOYSA-N
MW435.55 g/mol
LogP5.67
Rot. Bonds6

About N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine

N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (PubChem CID 10025992) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
PubChem CID10025992
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC NameN-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C25H30FN5O/c26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20/h9-14,20H,1-8,15-17H2,(H,27,28,29)
InChIKeyXFBJDWKGSTXDFK-UHFFFAOYSA-N
XLogP5.67
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine (CID 10025992) is N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is Fc1ccc(-c2noc(CN3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
The InChIKey is XFBJDWKGSTXDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O/c26-19-11-9-18(10-12-19)24-23(22(32-30-24)17-31-15-5-2-6-16-31)21-13-14-27-25(29-21)28-20-7-3-1-4-8-20/h9-14,20H,1-8,15-17H2,(H,27,28,29).
What are the key properties of N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine has a molecular weight of 435.55 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-fluorophenyl)-5-(piperidin-1-ylmethyl)-1,2-oxazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 10025992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).