3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal

C13H13N3O5 — CID 87367134

IUPAC3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
SMILESO=CCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C13H13N3O5/c17-5-1-2-8-6-16(13(19)21-8)10-4-3-9-12(14-10)15-11(18)7-20-9/h3-5,8H,1-2,6-7H2,(H,14,15,18)
InChIKeyMSOPWMMSRFCABO-UHFFFAOYSA-N
MW291.26 g/mol
LogP0.72
Rot. Bonds4

About 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal

3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal (PubChem CID 87367134) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal.

Molecular Properties

Compound Name3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
PubChem CID87367134
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
SMILESO=CCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1
InChIInChI=1S/C13H13N3O5/c17-5-1-2-8-6-16(13(19)21-8)10-4-3-9-12(14-10)15-11(18)7-20-9/h3-5,8H,1-2,6-7H2,(H,14,15,18)
InChIKeyMSOPWMMSRFCABO-UHFFFAOYSA-N
XLogP0.72
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87366957
3-[(5S)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl methanesulfonate
CID 90216333
2-[2-[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]ethyl]isoindole-1,3-dione
CID 156862197
6-[5-[3-[(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156861925
6-[5-[[(4-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 166759607
6-[(4aR,7aS)-2-oxo-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130302492
6-[5-[2-[(4-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862265
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 90216269
6-[(5S)-2-oxo-5-[3-[[(3S)-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 135308259
2-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propylamino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156862569
6-[5-[2-[[3-[(2R)-2-amino-3-hydroxypropoxy]-4-chloro-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862499
6-[5-[2-[[3-(azetidin-3-ylmethoxy)-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 156861905

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal?
The IUPAC name of 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal (CID 87367134) is 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal.
What is the SMILES notation for 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal?
The canonical SMILES for 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal is O=CCCC1CN(c2ccc3c(n2)NC(=O)CO3)C(=O)O1.
What is the InChIKey of 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal?
The InChIKey is MSOPWMMSRFCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-5-1-2-8-6-16(13(19)21-8)10-4-3-9-12(14-10)15-11(18)7-20-9/h3-5,8H,1-2,6-7H2,(H,14,15,18).
What are the key properties of 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal?
3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal has a molecular weight of 291.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal is sourced from PubChem (CID 87367134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).