(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C23H17FN2O6 — CID 41074042

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(OC)c([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1
InChIInChI=1S/C23H17FN2O6/c1-11-8-18(25-32-11)26-20(14-10-13(29-2)5-7-16(14)30-3)19-21(27)15-9-12(24)4-6-17(15)31-22(19)23(26)28/h4-10,20H,1-3H3/t20-/m0/s1
InChIKeyFHCWNBCCIHTCLB-FQEVSTJZSA-N
MW436.40 g/mol
LogP4.00
Rot. Bonds4

About (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41074042) has the molecular formula C23H17FN2O6 and a molecular weight of 436.40 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41074042
Molecular FormulaC23H17FN2O6
Molecular Weight436.40 g/mol
Exact Mass436.11
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccc(OC)c([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1
InChIInChI=1S/C23H17FN2O6/c1-11-8-18(25-32-11)26-20(14-10-13(29-2)5-7-16(14)30-3)19-21(27)15-9-12(24)4-6-17(15)31-22(19)23(26)28/h4-10,20H,1-3H3/t20-/m0/s1
InChIKeyFHCWNBCCIHTCLB-FQEVSTJZSA-N
XLogP4.00
TPSA95.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4973745
(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
(1S)-7-fluoro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7554542
7-fluoro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4976084
(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
(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)-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
(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 40653248
(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-ethyl-1-(3-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 7633322
(1R)-1-(2,3-dimethoxyphenyl)-7-fluoro-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 41132429

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 41074042) is (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(OC)c([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)on2)c1.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is FHCWNBCCIHTCLB-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H17FN2O6/c1-11-8-18(25-32-11)26-20(14-10-13(29-2)5-7-16(14)30-3)19-21(27)15-9-12(24)4-6-17(15)31-22(19)23(26)28/h4-10,20H,1-3H3/t20-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 436.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41074042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).