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

C21H12ClFN2O4 — CID 40653248

IUPAC(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)no1
InChIInChI=1S/C21H12ClFN2O4/c1-10-8-16(24-29-10)25-18(12-4-2-3-5-14(12)23)17-19(26)13-9-11(22)6-7-15(13)28-20(17)21(25)27/h2-9,18H,1H3/t18-/m1/s1
InChIKeyQSOAKWAWKRXCSR-GOSISDBHSA-N
MW410.79 g/mol
LogP4.63
Rot. Bonds2

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

(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40653248) has the molecular formula C21H12ClFN2O4 and a molecular weight of 410.79 g/mol. Its IUPAC name is (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID40653248
Molecular FormulaC21H12ClFN2O4
Molecular Weight410.79 g/mol
Exact Mass410.05
IUPAC Name(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)no1
InChIInChI=1S/C21H12ClFN2O4/c1-10-8-16(24-29-10)25-18(12-4-2-3-5-14(12)23)17-19(26)13-9-11(22)6-7-15(13)28-20(17)21(25)27/h2-9,18H,1H3/t18-/m1/s1
InChIKeyQSOAKWAWKRXCSR-GOSISDBHSA-N
XLogP4.63
TPSA76.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.79
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
7-chloro-1-(2-fluorophenyl)-2-(4-methyl-2-pyridinyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3744181
(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-(4-bromophenyl)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3927226
(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
7-chloro-1-(2-fluorophenyl)-2-methyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3556367
(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
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
2-(5-chloro-2-pyridinyl)-7-fluoro-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3285345
2-(5-chloro-2-pyridinyl)-1-(2-fluorophenyl)-6,7-dimethyl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3717934

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (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) is (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)no1.
What is the InChIKey of (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is QSOAKWAWKRXCSR-GOSISDBHSA-N. The full InChI is InChI=1S/C21H12ClFN2O4/c1-10-8-16(24-29-10)25-18(12-4-2-3-5-14(12)23)17-19(26)13-9-11(22)6-7-15(13)28-20(17)21(25)27/h2-9,18H,1H3/t18-/m1/s1.
What are the key properties of (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 410.79 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-1-(2-fluorophenyl)-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40653248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).