7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione

C12H7ClN2O3 — CID 61356002

IUPAC7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccno2)c2c(Cl)cccc21
InChIInChI=1S/C12H7ClN2O3/c13-9-3-1-2-8-10(9)15(12(17)11(8)16)6-7-4-5-14-18-7/h1-5H,6H2
InChIKeyZDRNLHPUYVZUCT-UHFFFAOYSA-N
MW262.65 g/mol
LogP2.06
Rot. Bonds2

About 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione

7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione (PubChem CID 61356002) has the molecular formula C12H7ClN2O3 and a molecular weight of 262.65 g/mol. Its IUPAC name is 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
PubChem CID61356002
Molecular FormulaC12H7ClN2O3
Molecular Weight262.65 g/mol
Exact Mass262.01
IUPAC Name7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(Cc2ccno2)c2c(Cl)cccc21
InChIInChI=1S/C12H7ClN2O3/c13-9-3-1-2-8-10(9)15(12(17)11(8)16)6-7-4-5-14-18-7/h1-5H,6H2
InChIKeyZDRNLHPUYVZUCT-UHFFFAOYSA-N
XLogP2.06
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.65
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione (CID 61356002) is 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione is O=C1C(=O)N(Cc2ccno2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
The InChIKey is ZDRNLHPUYVZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3/c13-9-3-1-2-8-10(9)15(12(17)11(8)16)6-7-4-5-14-18-7/h1-5H,6H2.
What are the key properties of 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione?
7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione has a molecular weight of 262.65 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1,2-oxazol-5-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61356002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).