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

C12H11N3O3 — CID 75376530

IUPAC2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCOc3ncccc32)on1
InChIInChI=1S/C12H11N3O3/c1-8-7-10(18-14-8)12(16)15-5-6-17-11-9(15)3-2-4-13-11/h2-4,7H,5-6H2,1H3
InChIKeyYMDNZGMMTCRJMO-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.42
Rot. Bonds1

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

2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone (PubChem CID 75376530) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
PubChem CID75376530
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
SMILESCc1cc(C(=O)N2CCOc3ncccc32)on1
InChIInChI=1S/C12H11N3O3/c1-8-7-10(18-14-8)12(16)15-5-6-17-11-9(15)3-2-4-13-11/h2-4,7H,5-6H2,1H3
InChIKeyYMDNZGMMTCRJMO-UHFFFAOYSA-N
XLogP1.42
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-dichlorophenyl)-1,3-thiazol-4-yl]-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 99818621
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 166223828
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-fluoro-4-pyridinyl)methanone
CID 71979229
benzyl 2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
CID 176887420
1-(3-methyl-1,2-oxazole-5-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564086
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone
CID 80707380
6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47778239
(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]methanone
CID 1256617
(3-methyl-1,2-oxazol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 27825860
(3-methyl-1,2-oxazol-5-yl)-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methanone
CID 128967603
3,4-dihydro-2H-1,5-benzoxazepin-5-yl-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone
CID 167798280

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone?
The IUPAC name of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone (CID 75376530) is 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone is Cc1cc(C(=O)N2CCOc3ncccc32)on1.
What is the InChIKey of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone?
The InChIKey is YMDNZGMMTCRJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-8-7-10(18-14-8)12(16)15-5-6-17-11-9(15)3-2-4-13-11/h2-4,7H,5-6H2,1H3.
What are the key properties of 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone?
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone has a molecular weight of 245.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 75376530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).