(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C25H21ClN2O7 — CID 41075140

IUPAC(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C25H21ClN2O7/c1-11-6-16-14(10-15(11)26)22(29)20-21(13-8-17(31-3)23(33-5)18(9-13)32-4)28(25(30)24(20)34-16)19-7-12(2)35-27-19/h6-10,21H,1-5H3/t21-/m1/s1
InChIKeyBKOBUUUBIYRQML-OAQYLSRUSA-N
MW496.90 g/mol
LogP4.83
Rot. Bonds5

About (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41075140) has the molecular formula C25H21ClN2O7 and a molecular weight of 496.90 g/mol. Its IUPAC name is (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41075140
Molecular FormulaC25H21ClN2O7
Molecular Weight496.90 g/mol
Exact Mass496.10
IUPAC Name(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC
InChIInChI=1S/C25H21ClN2O7/c1-11-6-16-14(10-15(11)26)22(29)20-21(13-8-17(31-3)23(33-5)18(9-13)32-4)28(25(30)24(20)34-16)19-7-12(2)35-27-19/h6-10,21H,1-5H3/t21-/m1/s1
InChIKeyBKOBUUUBIYRQML-OAQYLSRUSA-N
XLogP4.83
TPSA104.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.90
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

(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
(1R)-1-(4-methoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7632172
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
(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
(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
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)-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)-7-chloro-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2009540
(1R)-1-(3,4-dimethoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075963
(1R)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(2,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41075884
1-(3-ethoxyphenyl)-6,7-dimethyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4906400
7-chloro-6-methyl-2-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 19134551

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41075140) is (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc(OC)c1OC.
What is the InChIKey of (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is BKOBUUUBIYRQML-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H21ClN2O7/c1-11-6-16-14(10-15(11)26)22(29)20-21(13-8-17(31-3)23(33-5)18(9-13)32-4)28(25(30)24(20)34-16)19-7-12(2)35-27-19/h6-10,21H,1-5H3/t21-/m1/s1.
What are the key properties of (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 496.90 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41075140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).