7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H23N3O6 — CID 74729264

IUPAC7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCC1CCC2OC3=C(C(=O)C2C1)C(c1cccc([N+](=O)[O-])c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C23H23N3O6/c1-3-13-7-8-17-16(10-13)21(27)19-20(14-5-4-6-15(11-14)26(29)30)25(23(28)22(19)31-17)18-9-12(2)32-24-18/h4-6,9,11,13,16-17,20H,3,7-8,10H2,1-2H3
InChIKeyOHRGLTXNJDABAP-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.03
Rot. Bonds4

About 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 74729264) has the molecular formula C23H23N3O6 and a molecular weight of 437.45 g/mol. Its IUPAC name is 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID74729264
Molecular FormulaC23H23N3O6
Molecular Weight437.45 g/mol
Exact Mass437.16
IUPAC Name7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCC1CCC2OC3=C(C(=O)C2C1)C(c1cccc([N+](=O)[O-])c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C23H23N3O6/c1-3-13-7-8-17-16(10-13)21(27)19-20(14-5-4-6-15(11-14)26(29)30)25(23(28)22(19)31-17)18-9-12(2)32-24-18/h4-6,9,11,13,16-17,20H,3,7-8,10H2,1-2H3
InChIKeyOHRGLTXNJDABAP-UHFFFAOYSA-N
XLogP4.03
TPSA115.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

1-(3-ethoxyphenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370483
7-chloro-1-(3-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746009
7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744708
7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746011
7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371087
1-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261638
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746881
7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370752
4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
CID 5112349
(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7596232
14-(5-methyl-1,2-oxazol-3-yl)-13-(3-prop-2-enoxyphenyl)-17-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadec-12(16)-ene-11,15-dione
CID 74744688
7-fluoro-1-(3-propoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744782

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 74729264) is 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCC1CCC2OC3=C(C(=O)C2C1)C(c1cccc([N+](=O)[O-])c1)N(c1cc(C)on1)C3=O.
What is the InChIKey of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OHRGLTXNJDABAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6/c1-3-13-7-8-17-16(10-13)21(27)19-20(14-5-4-6-15(11-14)26(29)30)25(23(28)22(19)31-17)18-9-12(2)32-24-18/h4-6,9,11,13,16-17,20H,3,7-8,10H2,1-2H3.
What are the key properties of 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 437.45 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 74729264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).