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

C28H19ClN2O5 — CID 41074881

IUPAC(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(OCc3ccccc3)c2)no1
InChIInChI=1S/C28H19ClN2O5/c1-16-12-23(30-36-16)31-25(18-8-5-9-20(13-18)34-15-17-6-3-2-4-7-17)24-26(32)21-14-19(29)10-11-22(21)35-27(24)28(31)33/h2-14,25H,15H2,1H3/t25-/m0/s1
InChIKeyHTFWYVLXLXNHPI-VWLOTQADSA-N
MW498.92 g/mol
LogP6.07
Rot. Bonds5

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

(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 41074881) has the molecular formula C28H19ClN2O5 and a molecular weight of 498.92 g/mol. Its IUPAC name is (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

Compound Name(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
PubChem CID41074881
Molecular FormulaC28H19ClN2O5
Molecular Weight498.92 g/mol
Exact Mass498.10
IUPAC Name(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
SMILESCc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(OCc3ccccc3)c2)no1
InChIInChI=1S/C28H19ClN2O5/c1-16-12-23(30-36-16)31-25(18-8-5-9-20(13-18)34-15-17-6-3-2-4-7-17)24-26(32)21-14-19(29)10-11-22(21)35-27(24)28(31)33/h2-14,25H,15H2,1H3/t25-/m0/s1
InChIKeyHTFWYVLXLXNHPI-VWLOTQADSA-N
XLogP6.07
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 56.07
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
7-chloro-2-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18853648
7-chloro-1-(3-phenylmethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4706915
(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-(3-chlorophenyl)-7-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 2143651
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-7-chloro-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708647
7-chloro-1-(3-ethoxyphenyl)-2-pyridin-2-yl-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4708932
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
2-(5-methyl-1,2-oxazol-3-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 4975674
(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
7-bromo-2-(3-chlorophenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18855006
7-methyl-2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18858005

Frequently Asked Questions

What is the IUPAC name of (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The IUPAC name of (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) is (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
What is the SMILES notation for (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The canonical SMILES for (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(OCc3ccccc3)c2)no1.
What is the InChIKey of (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
The InChIKey is HTFWYVLXLXNHPI-VWLOTQADSA-N. The full InChI is InChI=1S/C28H19ClN2O5/c1-16-12-23(30-36-16)31-25(18-8-5-9-20(13-18)34-15-17-6-3-2-4-7-17)24-26(32)21-14-19(29)10-11-22(21)35-27(24)28(31)33/h2-14,25H,15H2,1H3/t25-/m0/s1.
What are the key properties of (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?
(1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 498.92 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-chloro-2-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 41074881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).