(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C21H13N3O6 — CID 7596232

IUPAC(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C21H13N3O6/c1-11-9-16(22-30-11)23-18(12-5-4-6-13(10-12)24(27)28)17-19(25)14-7-2-3-8-15(14)29-20(17)21(23)26/h2-10,18H,1H3/t18-/m1/s1
InChIKeyXQKHHVGOVBNIAJ-GOSISDBHSA-N
MW403.35 g/mol
LogP3.75
Rot. Bonds3

About (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7596232) has the molecular formula C21H13N3O6 and a molecular weight of 403.35 g/mol. Its IUPAC name is (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7596232
Molecular FormulaC21H13N3O6
Molecular Weight403.35 g/mol
Exact Mass403.08
IUPAC Name(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1
InChIInChI=1S/C21H13N3O6/c1-11-9-16(22-30-11)23-18(12-5-4-6-13(10-12)24(27)28)17-19(25)14-7-2-3-8-15(14)29-20(17)21(23)26/h2-10,18H,1H3/t18-/m1/s1
InChIKeyXQKHHVGOVBNIAJ-GOSISDBHSA-N
XLogP3.75
TPSA119.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.75
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 (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methyl-2-pyridinyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3970415
1-(3-nitrophenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4615589
2-(4-methyl-2-pyridinyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4535068
(1S)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2144435
2-(4-ethoxyphenyl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852018
(1R)-1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075963
(1S)-7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075343
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674
6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-phenyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4903810
(1R)-2-(1,3-benzothiazol-2-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 42065977
(1R)-1-(3-chlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41091724
(1S)-1-(3-chlorophenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143651

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7596232) is (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)no1.
What is the InChIKey of (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is XQKHHVGOVBNIAJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H13N3O6/c1-11-9-16(22-30-11)23-18(12-5-4-6-13(10-12)24(27)28)17-19(25)14-7-2-3-8-15(14)29-20(17)21(23)26/h2-10,18H,1H3/t18-/m1/s1.
What are the key properties of (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 403.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).