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

C13H14N4O4 — CID 130302492

IUPAC6-[(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
SMILESO=C1COc2ccc(N3C[C@H]4CNC[C@H]4OC3=O)nc2N1
InChIInChI=1S/C13H14N4O4/c18-11-6-20-8-1-2-10(15-12(8)16-11)17-5-7-3-14-4-9(7)21-13(17)19/h1-2,7,9,14H,3-6H2,(H,15,16,18)/t7-,9-/m1/s1
InChIKeyTZPWHMVIOJVFAP-VXNVDRBHSA-N
MW290.28 g/mol
LogP-0.04
Rot. Bonds1

About 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

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 (PubChem CID 130302492) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID130302492
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name6-[(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
SMILESO=C1COc2ccc(N3C[C@H]4CNC[C@H]4OC3=O)nc2N1
InChIInChI=1S/C13H14N4O4/c18-11-6-20-8-1-2-10(15-12(8)16-11)17-5-7-3-14-4-9(7)21-13(17)19/h1-2,7,9,14H,3-6H2,(H,15,16,18)/t7-,9-/m1/s1
InChIKeyTZPWHMVIOJVFAP-VXNVDRBHSA-N
XLogP-0.04
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
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6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
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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
6-[3-[[(4aR,7aR)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-6-yl]methyl]-2-hydroxyphenyl]pyridine-2-carbonitrile
CID 137200762
1-[3-[(4aS,7aS)-2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-6-yl]propyl]-2-oxoquinoline-7-carbonitrile
CID 130320145
methylsulfanylmethane;6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490527
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-[[(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,7aR)-2-oxo-6-[2-(2-oxo-7-pyridin-3-yloxy-1,8-naphthyridin-1-yl)ethyl]-4a,5,7,7a-tetrahydro-4H-pyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130320158
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-[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-[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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1COc2ccc(N3C[C@H]4CNC[C@H]4OC3=O)nc2N1.
What is the InChIKey of 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?
The InChIKey is TZPWHMVIOJVFAP-VXNVDRBHSA-N. The full InChI is InChI=1S/C13H14N4O4/c18-11-6-20-8-1-2-10(15-12(8)16-11)17-5-7-3-14-4-9(7)21-13(17)19/h1-2,7,9,14H,3-6H2,(H,15,16,18)/t7-,9-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 290.28 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 130302492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).