(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H20N2O5 — CID 7633322

IUPAC(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC)c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C24H20N2O5/c1-4-14-8-9-18-17(11-14)22(27)20-21(15-6-5-7-16(12-15)29-3)26(24(28)23(20)30-18)19-10-13(2)31-25-19/h5-12,21H,4H2,1-3H3/t21-/m1/s1
InChIKeyWEHLHDOJHKFVQD-OAQYLSRUSA-N
MW416.43 g/mol
LogP4.41
Rot. Bonds4

About (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7633322) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID7633322
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC)c1)N(c1cc(C)on1)C3=O
InChIInChI=1S/C24H20N2O5/c1-4-14-8-9-18-17(11-14)22(27)20-21(15-6-5-7-16(12-15)29-3)26(24(28)23(20)30-18)19-10-13(2)31-25-19/h5-12,21H,4H2,1-3H3/t21-/m1/s1
InChIKeyWEHLHDOJHKFVQD-OAQYLSRUSA-N
XLogP4.41
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4912033
(1R)-7-fluoro-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7597708
methyl 4-[(1S)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-3,9-dioxo-1H-chromeno[2,3-c]pyrrol-1-yl]benzoate
CID 41417629
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
(1R)-7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7598415
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-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41074881
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674
(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
7-bromo-1-(4-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4902958
(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
(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)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7633322) is (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC)c1)N(c1cc(C)on1)C3=O.
What is the InChIKey of (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is WEHLHDOJHKFVQD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-4-14-8-9-18-17(11-14)22(27)20-21(15-6-5-7-16(12-15)29-3)26(24(28)23(20)30-18)19-10-13(2)31-25-19/h5-12,21H,4H2,1-3H3/t21-/m1/s1.
What are the key properties of (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 416.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7633322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).