7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione

C14H10ClN3O3 — CID 61495325

IUPAC7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2noc(C3CC3)n2)c2c(Cl)cccc21
InChIInChI=1S/C14H10ClN3O3/c15-9-3-1-2-8-11(9)18(14(20)12(8)19)6-10-16-13(21-17-10)7-4-5-7/h1-3,7H,4-6H2
InChIKeyULXWLFJGCOYDFR-UHFFFAOYSA-N
MW303.70 g/mol
LogP2.33
Rot. Bonds3

About 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione

7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (PubChem CID 61495325) has the molecular formula C14H10ClN3O3 and a molecular weight of 303.70 g/mol. Its IUPAC name is 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
PubChem CID61495325
Molecular FormulaC14H10ClN3O3
Molecular Weight303.70 g/mol
Exact Mass303.04
IUPAC Name7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(Cc2noc(C3CC3)n2)c2c(Cl)cccc21
InChIInChI=1S/C14H10ClN3O3/c15-9-3-1-2-8-11(9)18(14(20)12(8)19)6-10-16-13(21-17-10)7-4-5-7/h1-3,7H,4-6H2
InChIKeyULXWLFJGCOYDFR-UHFFFAOYSA-N
XLogP2.33
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The IUPAC name of 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione (CID 61495325) is 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The canonical SMILES for 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is O=C1C(=O)N(Cc2noc(C3CC3)n2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
The InChIKey is ULXWLFJGCOYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3/c15-9-3-1-2-8-11(9)18(14(20)12(8)19)6-10-16-13(21-17-10)7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione?
7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione has a molecular weight of 303.70 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 61495325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).