(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione

C24H14Cl2N2O3 — CID 154716646

IUPAC(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione
SMILESO=C1O[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)n2c1cc1cc(Cl)cc(Cl)c12
InChIInChI=1S/C24H14Cl2N2O3/c25-16-10-15-11-20-22(29)31-24(28(20)21(15)18(26)12-16)17-8-4-5-9-19(17)27(23(24)30)13-14-6-2-1-3-7-14/h1-12H,13H2/t24-/m1/s1
InChIKeyRWAGUJUWMALLPG-XMMPIXPASA-N
MW449.29 g/mol
LogP5.37
Rot. Bonds2

About (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione

(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione (PubChem CID 154716646) has the molecular formula C24H14Cl2N2O3 and a molecular weight of 449.29 g/mol. Its IUPAC name is (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione.

Molecular Properties

Compound Name(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione
PubChem CID154716646
Molecular FormulaC24H14Cl2N2O3
Molecular Weight449.29 g/mol
Exact Mass448.04
IUPAC Name(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione
SMILESO=C1O[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)n2c1cc1cc(Cl)cc(Cl)c12
InChIInChI=1S/C24H14Cl2N2O3/c25-16-10-15-11-20-22(29)31-24(28(20)21(15)18(26)12-16)17-8-4-5-9-19(17)27(23(24)30)13-14-6-2-1-3-7-14/h1-12H,13H2/t24-/m1/s1
InChIKeyRWAGUJUWMALLPG-XMMPIXPASA-N
XLogP5.37
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.29
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione?
The IUPAC name of (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione (CID 154716646) is (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione.
What is the SMILES notation for (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione?
The canonical SMILES for (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione is O=C1O[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)n2c1cc1cc(Cl)cc(Cl)c12.
What is the InChIKey of (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione?
The InChIKey is RWAGUJUWMALLPG-XMMPIXPASA-N. The full InChI is InChI=1S/C24H14Cl2N2O3/c25-16-10-15-11-20-22(29)31-24(28(20)21(15)18(26)12-16)17-8-4-5-9-19(17)27(23(24)30)13-14-6-2-1-3-7-14/h1-12H,13H2/t24-/m1/s1.
What are the key properties of (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione?
(1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione has a molecular weight of 449.29 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-benzyl-6,8-dichlorospiro[[1,3]oxazolo[3,4-a]indole-1,3'-indole]-2',3-dione is sourced from PubChem (CID 154716646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).