(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H18Cl2N2O4 — CID 41075798

IUPAC(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C24H18Cl2N2O4/c1-11(2)13-4-6-14(7-5-13)20-19-21(29)16-9-15(25)10-17(26)22(16)31-23(19)24(30)28(20)18-8-12(3)32-27-18/h4-11,20H,1-3H3/t20-/m0/s1
InChIKeyOHINJRMTJOPLAQ-FQEVSTJZSA-N
MW469.32 g/mol
LogP6.27
Rot. Bonds3

About (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41075798) has the molecular formula C24H18Cl2N2O4 and a molecular weight of 469.32 g/mol. Its IUPAC name is (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41075798
Molecular FormulaC24H18Cl2N2O4
Molecular Weight469.32 g/mol
Exact Mass468.06
IUPAC Name(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C24H18Cl2N2O4/c1-11(2)13-4-6-14(7-5-13)20-19-21(29)16-9-15(25)10-17(26)22(16)31-23(19)24(30)28(20)18-8-12(3)32-27-18/h4-11,20H,1-3H3/t20-/m0/s1
InChIKeyOHINJRMTJOPLAQ-FQEVSTJZSA-N
XLogP6.27
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.32
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-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

5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4908986
(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075404
5,7-dichloro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4907380
(1S)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598668
1-(4-bromophenyl)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3927226
14-(5-methyl-1,2-oxazol-3-yl)-15-(4-propan-2-ylphenyl)-11-oxa-14-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaene-13,17-dione
CID 4911380
(1S)-7-chloro-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009540
(1S)-1-(4-tert-butylphenyl)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2012883
(1S)-7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41102030
1-(3,4-dichlorophenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4911918
(1R)-7-chloro-1-(4-methoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41417618
7-bromo-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-methylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4892209

Frequently Asked Questions

What is the IUPAC name of (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41075798) is (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1.
What is the InChIKey of (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is OHINJRMTJOPLAQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18Cl2N2O4/c1-11(2)13-4-6-14(7-5-13)20-19-21(29)16-9-15(25)10-17(26)22(16)31-23(19)24(30)28(20)18-8-12(3)32-27-18/h4-11,20H,1-3H3/t20-/m0/s1.
What are the key properties of (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 469.32 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5,7-dichloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41075798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).