7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

C22H21FN2O5 — CID 78370752

IUPAC7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1C1C2=C(OC3CCC(F)CC3C2=O)C(=O)N1c1cc(C)on1
InChIInChI=1S/C22H21FN2O5/c1-11-9-17(24-30-11)25-19(13-5-3-4-6-15(13)28-2)18-20(26)14-10-12(23)7-8-16(14)29-21(18)22(25)27/h3-6,9,12,14,16,19H,7-8,10H2,1-2H3
InChIKeyKHDIBHBIOASPJG-UHFFFAOYSA-N
MW412.42 g/mol
LogP3.44
Rot. Bonds3

About 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 78370752) has the molecular formula C22H21FN2O5 and a molecular weight of 412.42 g/mol. Its IUPAC name is 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID78370752
Molecular FormulaC22H21FN2O5
Molecular Weight412.42 g/mol
Exact Mass412.14
IUPAC Name7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCOc1ccccc1C1C2=C(OC3CCC(F)CC3C2=O)C(=O)N1c1cc(C)on1
InChIInChI=1S/C22H21FN2O5/c1-11-9-17(24-30-11)25-19(13-5-3-4-6-15(13)28-2)18-20(26)14-10-12(23)7-8-16(14)29-21(18)22(25)27/h3-6,9,12,14,16,19H,7-8,10H2,1-2H3
InChIKeyKHDIBHBIOASPJG-UHFFFAOYSA-N
XLogP3.44
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione with MolForge

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Related Compounds

7-fluoro-2-(5-methyl-1,2-oxazol-3-yl)-1-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78371087
7-fluoro-2-(6-methyl-2-pyridinyl)-1-(3,4,5-trimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74721517
1-(3-ethoxyphenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78370483
7-fluoro-1-(3-propoxyphenyl)-2-pyridin-2-yl-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744782
1-(4-chlorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78261638
7-fluoro-1-(2-fluorophenyl)-2-(5-propyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260508
7-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74729264
1-(3,4-dimethoxyphenyl)-7-fluoro-2-(5-propyl-1,3,4-thiadiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73260709
7-chloro-1-(3-chlorophenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74744708
7-bromo-1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78254613
7-chloro-1-(4-ethoxyphenyl)-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746881
7-chloro-6-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 74746011

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 78370752) is 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccccc1C1C2=C(OC3CCC(F)CC3C2=O)C(=O)N1c1cc(C)on1.
What is the InChIKey of 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is KHDIBHBIOASPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O5/c1-11-9-17(24-30-11)25-19(13-5-3-4-6-15(13)28-2)18-20(26)14-10-12(23)7-8-16(14)29-21(18)22(25)27/h3-6,9,12,14,16,19H,7-8,10H2,1-2H3.
What are the key properties of 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione?
7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 412.42 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(2-methoxyphenyl)-2-(5-methyl-1,2-oxazol-3-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 78370752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).