2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone

C17H20N4O3 — CID 154785791

IUPAC2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone
SMILESCn1nc(C2CCOCC2)cc1C(=O)N1CCOc2ccncc21
InChIInChI=1S/C17H20N4O3/c1-20-14(10-13(19-20)12-3-7-23-8-4-12)17(22)21-6-9-24-16-2-5-18-11-15(16)21/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyHXVKNOBUKILOMI-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.75
Rot. Bonds2

About 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone

2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone (PubChem CID 154785791) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone
PubChem CID154785791
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone
SMILESCn1nc(C2CCOCC2)cc1C(=O)N1CCOc2ccncc21
InChIInChI=1S/C17H20N4O3/c1-20-14(10-13(19-20)12-3-7-23-8-4-12)17(22)21-6-9-24-16-2-5-18-11-15(16)21/h2,5,10-12H,3-4,6-9H2,1H3
InChIKeyHXVKNOBUKILOMI-UHFFFAOYSA-N
XLogP1.75
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
2-adamantyl(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone
CID 167926677
(3,5-dibromo-4-hydroxyphenyl)-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)methanone;sulfuric acid
CID 44608872
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[4-hydroxy-3-(trifluoromethyl)phenyl]methanone
CID 44610282
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
N-methyl-N-prop-2-ynyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 167779163
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-(3-phenylmethoxy-1,2-oxazol-5-yl)methanone
CID 66936639
N-(2-chloro-2,2-difluoroethyl)-N-methyl-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 166315197
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
CID 115092483
(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-pyridin-3-ylmethanone
CID 110639185
N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
CID 167933065

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone?
The IUPAC name of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone (CID 154785791) is 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone.
What is the SMILES notation for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone?
The canonical SMILES for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone is Cn1nc(C2CCOCC2)cc1C(=O)N1CCOc2ccncc21.
What is the InChIKey of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone?
The InChIKey is HXVKNOBUKILOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-20-14(10-13(19-20)12-3-7-23-8-4-12)17(22)21-6-9-24-16-2-5-18-11-15(16)21/h2,5,10-12H,3-4,6-9H2,1H3.
What are the key properties of 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone?
2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]methanone is sourced from PubChem (CID 154785791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).