2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C30H21N3O5 — CID 18867584

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc(N2C(=O)c3oc4ccccc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)no1
InChIInChI=1S/C30H21N3O5/c1-17-9-3-4-10-19(17)16-32-22-13-7-6-12-21(22)30(29(32)36)25-26(34)20-11-5-8-14-23(20)37-27(25)28(35)33(30)24-15-18(2)38-31-24/h3-15H,16H2,1-2H3
InChIKeyAWRAXBVCUKNIHQ-UHFFFAOYSA-N
MW503.51 g/mol
LogP4.85
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867584) has the molecular formula C30H21N3O5 and a molecular weight of 503.51 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867584
Molecular FormulaC30H21N3O5
Molecular Weight503.51 g/mol
Exact Mass503.15
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc(N2C(=O)c3oc4ccccc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)no1
InChIInChI=1S/C30H21N3O5/c1-17-9-3-4-10-19(17)16-32-22-13-7-6-12-21(22)30(29(32)36)25-26(34)20-11-5-8-14-23(20)37-27(25)28(35)33(30)24-15-18(2)38-31-24/h3-15H,16H2,1-2H3
InChIKeyAWRAXBVCUKNIHQ-UHFFFAOYSA-N
XLogP4.85
TPSA96.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867316
6,7-dimethyl-1'-[(2-methylphenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869898
1'-[(2-chlorophenyl)methyl]-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867542
1'-benzyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867362
2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867607
1'-[(2-fluorophenyl)methyl]-6,7-dimethyl-2-(4-methyl-2-pyridinyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869988
6,7-dimethyl-2-(6-methyl-1,3-benzothiazol-2-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869908
7-chloro-2-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868087
7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868557
7-methyl-1'-[(2-methylphenyl)methyl]-2-(2-phenylethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869372
7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868559
7-chloro-1'-[(2-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868062

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867584) is 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3C23C(=O)N(Cc2ccccc2C)c2ccccc23)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is AWRAXBVCUKNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N3O5/c1-17-9-3-4-10-19(17)16-32-22-13-7-6-12-21(22)30(29(32)36)25-26(34)20-11-5-8-14-23(20)37-27(25)28(35)33(30)24-15-18(2)38-31-24/h3-15H,16H2,1-2H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 503.51 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).