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

C25H29FN4O — CID 11742888

IUPACN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H29FN4O/c26-20-8-6-17(7-9-20)23-24(31-25(30-23)18-10-13-27-14-11-18)19-12-15-28-22(16-19)29-21-4-2-1-3-5-21/h6-9,12,15-16,18,21,27H,1-5,10-11,13-14H2,(H,28,29)
InChIKeyZIRASUDSTBDZEZ-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.75
Rot. Bonds5

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

N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine (PubChem CID 11742888) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine
PubChem CID11742888
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC NameN-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1
InChIInChI=1S/C25H29FN4O/c26-20-8-6-17(7-9-20)23-24(31-25(30-23)18-10-13-27-14-11-18)19-12-15-28-22(16-19)29-21-4-2-1-3-5-21/h6-9,12,15-16,18,21,27H,1-5,10-11,13-14H2,(H,28,29)
InChIKeyZIRASUDSTBDZEZ-UHFFFAOYSA-N
XLogP5.75
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine (CID 11742888) is N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)oc2-c2ccnc(NC3CCCCC3)c2)cc1.
What is the InChIKey of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine?
The InChIKey is ZIRASUDSTBDZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c26-20-8-6-17(7-9-20)23-24(31-25(30-23)18-10-13-27-14-11-18)19-12-15-28-22(16-19)29-21-4-2-1-3-5-21/h6-9,12,15-16,18,21,27H,1-5,10-11,13-14H2,(H,28,29).
What are the key properties of N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine?
N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine has a molecular weight of 420.53 g/mol, XLogP of 5.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 11742888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).