4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C19H23F2N3O2 — CID 92599728

IUPAC4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C3CCN(CC4=CCCOC4)CC3)cc(C(F)F)c12
InChIInChI=1S/C19H23F2N3O2/c1-12-17-15(18(20)21)9-16(22-19(17)26-23-12)14-4-6-24(7-5-14)10-13-3-2-8-25-11-13/h3,9,14,18H,2,4-8,10-11H2,1H3
InChIKeyIKYVKOXJYRSSIA-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.99
Rot. Bonds4

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

4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 92599728) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID92599728
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C3CCN(CC4=CCCOC4)CC3)cc(C(F)F)c12
InChIInChI=1S/C19H23F2N3O2/c1-12-17-15(18(20)21)9-16(22-19(17)26-23-12)14-4-6-24(7-5-14)10-13-3-2-8-25-11-13/h3,9,14,18H,2,4-8,10-11H2,1H3
InChIKeyIKYVKOXJYRSSIA-UHFFFAOYSA-N
XLogP3.99
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-6-phenyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2324446
3-Methyl-4,6-bis(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 2348961
6-cyclopropyl-N-(cyclopropylmethyl)-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 118740569
6-cyclopropyl-3-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134790392
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134790892
6-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-piperidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134791399
(6-Cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
CID 72027636
3,6-Dimethyl-4-(trifluoromethyl)isoxazolo(5,4-B)pyridine
CID 24208926
3-Methyl-6-pyridin-3-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridine
CID 2323908
Methyl 6-(4-fluorophenyl)-3-methylisoxazolo[5,4-b]pyridine-4-carboxylate
CID 9454189
Methyl 6-(4-methylphenyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 9459641
3,6-dimethyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24642375

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 92599728) is 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(C3CCN(CC4=CCCOC4)CC3)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is IKYVKOXJYRSSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-12-17-15(18(20)21)9-16(22-19(17)26-23-12)14-4-6-24(7-5-14)10-13-3-2-8-25-11-13/h3,9,14,18H,2,4-8,10-11H2,1H3.
What are the key properties of 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 363.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-[1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 92599728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).