1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine

C19H14N4O4S — CID 67244132

IUPAC1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESO=S(=O)(c1ccccc1)N1CCOc2ncc(-c3nc4ncccc4o3)cc21
InChIInChI=1S/C19H14N4O4S/c24-28(25,14-5-2-1-3-6-14)23-9-10-26-19-15(23)11-13(12-21-19)18-22-17-16(27-18)7-4-8-20-17/h1-8,11-12H,9-10H2
InChIKeyPLFIHEYQNUHQQV-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.87
Rot. Bonds3

About 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine

1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine (PubChem CID 67244132) has the molecular formula C19H14N4O4S and a molecular weight of 394.41 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
PubChem CID67244132
Molecular FormulaC19H14N4O4S
Molecular Weight394.41 g/mol
Exact Mass394.07
IUPAC Name1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
SMILESO=S(=O)(c1ccccc1)N1CCOc2ncc(-c3nc4ncccc4o3)cc21
InChIInChI=1S/C19H14N4O4S/c24-28(25,14-5-2-1-3-6-14)23-9-10-26-19-15(23)11-13(12-21-19)18-22-17-16(27-18)7-4-8-20-17/h1-8,11-12H,9-10H2
InChIKeyPLFIHEYQNUHQQV-UHFFFAOYSA-N
XLogP2.87
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]furan-2-carboxamide
CID 72204895
N-tert-butyl-5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxamide
CID 44242732
5-(1-(4-fluorophenylsulfonyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1,2,4-oxadiazole-3-carbonyl chloride
CID 57896673
5-[1-(4-fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-N-(3-methoxypropyl)-1,2,4-oxadiazole-3-carboxamide
CID 57896681
Ethyl 5-(1-(4-fluorophenylsulfonyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1,2,4-oxadiazole-3-carboxylate
CID 57896723
[5-[1-(4-Fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazol-3-yl]-morpholin-4-ylmethanone
CID 57896757
1-(4-Fluorophenyl)sulfonyl-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 57896793
5-[1-(4-Fluorophenyl)sulfonyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-7-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 67243770
[4-(5-Methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyridin-3-yl]methanone
CID 155192240
[5-Fluoro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192414
US20250074919, Example A50
CID 168972222
1-[(4-Fluorophenyl)methyl]-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 44242729

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The IUPAC name of 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine (CID 67244132) is 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine.
What is the SMILES notation for 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The canonical SMILES for 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine is O=S(=O)(c1ccccc1)N1CCOc2ncc(-c3nc4ncccc4o3)cc21.
What is the InChIKey of 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine?
The InChIKey is PLFIHEYQNUHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4S/c24-28(25,14-5-2-1-3-6-14)23-9-10-26-19-15(23)11-13(12-21-19)18-22-17-16(27-18)7-4-8-20-17/h1-8,11-12H,9-10H2.
What are the key properties of 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine?
1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine has a molecular weight of 394.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2,3-dihydropyrido[2,3-b][1,4]oxazine is sourced from PubChem (CID 67244132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).