6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C19H18FN3O3 — CID 96529786

IUPAC6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCOCC3)c12
InChIInChI=1S/C19H18FN3O3/c1-11-17-15(18(24)21-14-6-8-25-9-7-14)10-16(22-19(17)26-23-11)12-2-4-13(20)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,21,24)
InChIKeyHHFLZWSFZJPJBT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.25
Rot. Bonds3

About 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 96529786) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID96529786
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCOCC3)c12
InChIInChI=1S/C19H18FN3O3/c1-11-17-15(18(24)21-14-6-8-25-9-7-14)10-16(22-19(17)26-23-11)12-2-4-13(20)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,21,24)
InChIKeyHHFLZWSFZJPJBT-UHFFFAOYSA-N
XLogP3.25
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-(oxan-4-yl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71939341
N-cyclopentyl-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30698272
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119455786
4-[[3-cyclopropyl-6-(4-fluorophenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 166194841
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
N-cyclopropyl-3-methyl-6-(5-methylthiophen-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 24605416
N-(1-ethylpiperidin-4-yl)-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 36814386
N-(4-chlorophenyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44821854
N-(2-amino-2-methylpropyl)-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119627629
6-(4-fluorophenyl)-3-methyl-N-(1,3,4-thiadiazol-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051444
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55547863
6-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42884611

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 96529786) is 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CCOCC3)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is HHFLZWSFZJPJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11-17-15(18(24)21-14-6-8-25-9-7-14)10-16(22-19(17)26-23-11)12-2-4-13(20)5-3-12/h2-5,10,14H,6-9H2,1H3,(H,21,24).
What are the key properties of 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-N-(oxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 96529786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).