4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine

C17H22F2N4O — CID 70821823

IUPAC4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(CCc2cc(N3CCC(F)(F)CC3)cc(N)n2)oc1C
InChIInChI=1S/C17H22F2N4O/c1-11-12(2)24-16(21-11)4-3-13-9-14(10-15(20)22-13)23-7-5-17(18,19)6-8-23/h9-10H,3-8H2,1-2H3,(H2,20,22)
InChIKeyUCVMIUAVTAMDBG-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.29
Rot. Bonds4

About 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine

4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine (PubChem CID 70821823) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine
PubChem CID70821823
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine
SMILESCc1nc(CCc2cc(N3CCC(F)(F)CC3)cc(N)n2)oc1C
InChIInChI=1S/C17H22F2N4O/c1-11-12(2)24-16(21-11)4-3-13-9-14(10-15(20)22-13)23-7-5-17(18,19)6-8-23/h9-10H,3-8H2,1-2H3,(H2,20,22)
InChIKeyUCVMIUAVTAMDBG-UHFFFAOYSA-N
XLogP3.29
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine (CID 70821823) is 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine is Cc1nc(CCc2cc(N3CCC(F)(F)CC3)cc(N)n2)oc1C.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine?
The InChIKey is UCVMIUAVTAMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c1-11-12(2)24-16(21-11)4-3-13-9-14(10-15(20)22-13)23-7-5-17(18,19)6-8-23/h9-10H,3-8H2,1-2H3,(H2,20,22).
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine?
4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine has a molecular weight of 336.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-6-[2-(4,5-dimethyl-1,3-oxazol-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 70821823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).