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

C20H22FN3O2 — CID 25467427

IUPACN-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C20H22FN3O2/c1-4-6-11-24(5-2)20(25)15-12-17(14-9-7-8-10-16(14)21)22-19-18(15)13(3)23-26-19/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIEJQXDRTYKADOA-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.60
Rot. Bonds6

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

N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25467427) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25467427
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12
InChIInChI=1S/C20H22FN3O2/c1-4-6-11-24(5-2)20(25)15-12-17(14-9-7-8-10-16(14)21)22-19-18(15)13(3)23-26-19/h7-10,12H,4-6,11H2,1-3H3
InChIKeyIEJQXDRTYKADOA-UHFFFAOYSA-N
XLogP4.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluorophenyl)-3-methyl-N-propyl-N-(2-pyrrolidin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 166198929
6-(2-fluorophenyl)-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43066610
N-butyl-N-ethyl-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78836039
phenyl 6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 24603258
6-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 46696500
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6-(2-fluorophenyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42933313
(3-aminopyrrolidin-1-yl)-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 75469373
2,3-dihydroindol-1-yl-[6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 29406154
N-ethyl-3-methyl-6-(4-methylphenyl)-N-(2-methylprop-2-enyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52559714
N-cyclopropyl-N-ethyl-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 75402736
N-ethyl-6-(4-fluorophenyl)-3-methyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134036791
N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 134051395

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 25467427) is N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCCN(CC)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c12.
What is the InChIKey of N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is IEJQXDRTYKADOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-4-6-11-24(5-2)20(25)15-12-17(14-9-7-8-10-16(14)21)22-19-18(15)13(3)23-26-19/h7-10,12H,4-6,11H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 355.41 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-6-(2-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25467427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).