4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C21H23F2N3O2 — CID 92599755

IUPAC4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1
InChIInChI=1S/C21H23F2N3O2/c1-13-19-17(20(22)23)11-18(24-21(19)28-25-13)15-7-9-26(10-8-15)12-14-3-5-16(27-2)6-4-14/h3-6,11,15,20H,7-10,12H2,1-2H3
InChIKeyHCKUHMZSXCBSJR-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.86
Rot. Bonds5

About 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 92599755) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID92599755
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC Name4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1
InChIInChI=1S/C21H23F2N3O2/c1-13-19-17(20(22)23)11-18(24-21(19)28-25-13)15-7-9-26(10-8-15)12-14-3-5-16(27-2)6-4-14/h3-6,11,15,20H,7-10,12H2,1-2H3
InChIKeyHCKUHMZSXCBSJR-UHFFFAOYSA-N
XLogP4.86
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 92599755) is 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is COc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1.
What is the InChIKey of 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is HCKUHMZSXCBSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-13-19-17(20(22)23)11-18(24-21(19)28-25-13)15-7-9-26(10-8-15)12-14-3-5-16(27-2)6-4-14/h3-6,11,15,20H,7-10,12H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 387.43 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 92599755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).