3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

C22H20FN5O4 — CID 169206940

IUPAC3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCOc1nc(OCc2c(-c3ccc(F)cc3)noc2C)ccc1-c1nnc2n1CCOC2
InChIInChI=1S/C22H20FN5O4/c1-13-17(20(27-32-13)14-3-5-15(23)6-4-14)11-31-19-8-7-16(22(24-19)29-2)21-26-25-18-12-30-10-9-28(18)21/h3-8H,9-12H2,1-2H3
InChIKeyASXPRBHXWBYHSJ-UHFFFAOYSA-N
MW437.43 g/mol
LogP3.56
Rot. Bonds6

About 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine

3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (PubChem CID 169206940) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.

Molecular Properties

Compound Name3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
PubChem CID169206940
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
SMILESCOc1nc(OCc2c(-c3ccc(F)cc3)noc2C)ccc1-c1nnc2n1CCOC2
InChIInChI=1S/C22H20FN5O4/c1-13-17(20(27-32-13)14-3-5-15(23)6-4-14)11-31-19-8-7-16(22(24-19)29-2)21-26-25-18-12-30-10-9-28(18)21/h3-8H,9-12H2,1-2H3
InChIKeyASXPRBHXWBYHSJ-UHFFFAOYSA-N
XLogP3.56
TPSA97.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine with MolForge

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Related Compounds

2-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-5-(5-methyl-4H-[1,2,4]triazol-3-yl)-pyridine
CID 42630046
(5,6-Dihydro-8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-[6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-methanone
CID 57336135
5-[(2,4-Dimethyl-5,6-dihydrofuro[2,3-d]pyrimidin-6-yl)methyl]-3-(3-fluorophenyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine
CID 56744629
3-(4-Fluorophenyl)-5-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yloxymethyl)-1,2-oxazole
CID 42630248
3-[[Difluoro-[6-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]methyl]-5-phenyl-1,2-oxazole
CID 50905972
6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 67158042
3-[2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]benzoxazepine
CID 139725054
3-(4-Fluorophenyl)-5-methyl-4-[[5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)pyrazin-2-yl]oxymethyl]-1,2-oxazole
CID 169206926
7-Cyclobutyl-3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-one
CID 169206930
tert-butyl 3-[5-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyrazin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 169206933
4-[[5-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl)-2-pyridinyl]oxymethyl]-3-(4-fluorophenyl)-5-methyl-1,2-oxazole
CID 169206942
3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine 7,7-dioxide
CID 169206945

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The IUPAC name of 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine (CID 169206940) is 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine.
What is the SMILES notation for 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The canonical SMILES for 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is COc1nc(OCc2c(-c3ccc(F)cc3)noc2C)ccc1-c1nnc2n1CCOC2.
What is the InChIKey of 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
The InChIKey is ASXPRBHXWBYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c1-13-17(20(27-32-13)14-3-5-15(23)6-4-14)11-31-19-8-7-16(22(24-19)29-2)21-26-25-18-12-30-10-9-28(18)21/h3-8H,9-12H2,1-2H3.
What are the key properties of 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine?
3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine has a molecular weight of 437.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-2-methoxy-3-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine is sourced from PubChem (CID 169206940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).