5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole

C15H17N3O2 — CID 83163053

IUPAC5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2ccc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C15H17N3O2/c1-10(2)19-14-6-4-5-13-12(14)7-8-18(13)9-15-16-11(3)20-17-15/h4-8,10H,9H2,1-3H3
InChIKeyCJQLRNZAJUCXBH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.17
Rot. Bonds4

About 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole

5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 83163053) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID83163053
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cn2ccc3c(OC(C)C)cccc32)no1
InChIInChI=1S/C15H17N3O2/c1-10(2)19-14-6-4-5-13-12(14)7-8-18(13)9-15-16-11(3)20-17-15/h4-8,10H,9H2,1-3H3
InChIKeyCJQLRNZAJUCXBH-UHFFFAOYSA-N
XLogP3.17
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

5-ethyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 83165463
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yloxybenzimidazol-2-amine
CID 106406007
4-propan-2-yloxy-1-(pyridin-4-ylmethyl)indole
CID 83173873
1-(furan-3-ylmethyl)-4-propan-2-yloxyindole
CID 83182716
1-[(2-chlorophenyl)methyl]-4-propan-2-yloxyindole
CID 83165469
1-[(3-bromophenyl)methyl]-4-propan-2-yloxyindole
CID 83165323
3-(4-propan-2-yloxyindol-1-yl)propane-1,2-diol
CID 83174239
3-methyl-N-[2-(4-propan-2-yloxyindol-1-yl)ethyl]butan-2-amine
CID 83164736
5-[(4-ethoxyindol-1-yl)methyl]-3-ethyl-1,2,4-oxadiazole
CID 83174607
1-(3-methylbut-3-enyl)-4-propan-2-yloxyindole
CID 114476720
4-propan-2-yloxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83162517
1-[2-(2-methylpropoxy)ethyl]-4-propan-2-yloxyindole
CID 106458016

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole (CID 83163053) is 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole is Cc1nc(Cn2ccc3c(OC(C)C)cccc32)no1.
What is the InChIKey of 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CJQLRNZAJUCXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)19-14-6-4-5-13-12(14)7-8-18(13)9-15-16-11(3)20-17-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole?
5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-propan-2-yloxyindol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 83163053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).