4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine

C10H7ClN4O — CID 96596110

IUPAC4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C10H7ClN4O/c11-7-3-5-1-2-13-8(5)4-6(7)9-10(12)15-16-14-9/h1-4,13H,(H2,12,15)
InChIKeyIKDWNGFVQNUEDU-UHFFFAOYSA-N
MW234.65 g/mol
LogP2.45
Rot. Bonds1

About 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine

4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 96596110) has the molecular formula C10H7ClN4O and a molecular weight of 234.65 g/mol. Its IUPAC name is 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
PubChem CID96596110
Molecular FormulaC10H7ClN4O
Molecular Weight234.65 g/mol
Exact Mass234.03
IUPAC Name4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1cc2[nH]ccc2cc1Cl
InChIInChI=1S/C10H7ClN4O/c11-7-3-5-1-2-13-8(5)4-6(7)9-10(12)15-16-14-9/h1-4,13H,(H2,12,15)
InChIKeyIKDWNGFVQNUEDU-UHFFFAOYSA-N
XLogP2.45
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine (CID 96596110) is 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1cc2[nH]ccc2cc1Cl.
What is the InChIKey of 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is IKDWNGFVQNUEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O/c11-7-3-5-1-2-13-8(5)4-6(7)9-10(12)15-16-14-9/h1-4,13H,(H2,12,15).
What are the key properties of 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine?
4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 234.65 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 96596110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).