1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid

C17H17N3O4 — CID 155093204

IUPAC1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccc2c(n1)OCCN2C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-11(18-17(22)23)13-7-8-14-15(19-13)24-10-9-20(14)16(21)12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,22,23)
InChIKeyDFBSLAVILLKVON-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid

1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid (PubChem CID 155093204) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid.

Molecular Properties

Compound Name1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid
PubChem CID155093204
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccc2c(n1)OCCN2C(=O)c1ccccc1
InChIInChI=1S/C17H17N3O4/c1-11(18-17(22)23)13-7-8-14-15(19-13)24-10-9-20(14)16(21)12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,22,23)
InChIKeyDFBSLAVILLKVON-UHFFFAOYSA-N
XLogP2.45
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-(1-methyl-3-phenylpyrazol-4-yl)methanone
CID 86807201
[6-(difluoromethyl)pyrimidin-4-yl]-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 138026852
(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 75443254
4-fluoro-N-[1-[5-[3-(trifluoromethyl)benzoyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]ethyl]benzamide
CID 142580553
(6-imidazol-1-yl-3-pyridinyl)-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)methanone
CID 86783282
N-[(1S)-3-(7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 97247705
(2-chloro-6,7-dihydropyrimido[5,4-b][1,4]oxazin-8-yl)-phenylmethanone
CID 118056323
2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl-(3-methyl-1,2-oxazol-5-yl)methanone
CID 75376530
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317
N-[1-(1-benzoyl-2,3-dihydroindol-5-yl)ethyl]-4-fluorobenzamide
CID 175217591
(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(4-methylphenyl)methanone
CID 84609318
5-(2,3-dihydro-1,4-benzoxazine-4-carbonyl)pyridine-2-carboxylic acid
CID 117213074

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid?
The IUPAC name of 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid (CID 155093204) is 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid.
What is the SMILES notation for 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid?
The canonical SMILES for 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid is CC(NC(=O)O)c1ccc2c(n1)OCCN2C(=O)c1ccccc1.
What is the InChIKey of 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid?
The InChIKey is DFBSLAVILLKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(18-17(22)23)13-7-8-14-15(19-13)24-10-9-20(14)16(21)12-5-3-2-4-6-12/h2-8,11,18H,9-10H2,1H3,(H,22,23).
What are the key properties of 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid?
1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid has a molecular weight of 327.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzoyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl)ethylcarbamic acid is sourced from PubChem (CID 155093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).