1H-indole;oxadiazole;1,3-oxazole

C13H12N4O2 — CID 174647587

IUPAC1H-indole;oxadiazole;1,3-oxazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1.c1conn1
InChIInChI=1S/C8H7N.C3H3NO.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-2-5-4-3-1/h1-6,9H;1-3H;1-2H
InChIKeySKBUQXKLQKHVPN-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.91
Rot. Bonds

About 1H-indole;oxadiazole;1,3-oxazole

1H-indole;oxadiazole;1,3-oxazole (PubChem CID 174647587) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 1H-indole;oxadiazole;1,3-oxazole.

Molecular Properties

Compound Name1H-indole;oxadiazole;1,3-oxazole
PubChem CID174647587
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name1H-indole;oxadiazole;1,3-oxazole
SMILESc1ccc2[nH]ccc2c1.c1cocn1.c1conn1
InChIInChI=1S/C8H7N.C3H3NO.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-2-5-4-3-1/h1-6,9H;1-3H;1-2H
InChIKeySKBUQXKLQKHVPN-UHFFFAOYSA-N
XLogP2.91
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1H-indole;oxadiazole;1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-indole;oxadiazole;1,3-oxazole?
The IUPAC name of 1H-indole;oxadiazole;1,3-oxazole (CID 174647587) is 1H-indole;oxadiazole;1,3-oxazole.
What is the SMILES notation for 1H-indole;oxadiazole;1,3-oxazole?
The canonical SMILES for 1H-indole;oxadiazole;1,3-oxazole is c1ccc2[nH]ccc2c1.c1cocn1.c1conn1.
What is the InChIKey of 1H-indole;oxadiazole;1,3-oxazole?
The InChIKey is SKBUQXKLQKHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C3H3NO.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-5-3-4-1;1-2-5-4-3-1/h1-6,9H;1-3H;1-2H.
What are the key properties of 1H-indole;oxadiazole;1,3-oxazole?
1H-indole;oxadiazole;1,3-oxazole has a molecular weight of 256.27 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;oxadiazole;1,3-oxazole is sourced from PubChem (CID 174647587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).