3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

C15H17N3O — CID 116622908

IUPAC3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2ccc3cc(C)ccc32)no1
InChIInChI=1S/C15H17N3O/c1-3-4-15-16-14(17-19-15)10-18-8-7-12-9-11(2)5-6-13(12)18/h5-9H,3-4,10H2,1-2H3
InChIKeyCDDZFIFUWTULHF-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds4

About 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 116622908) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID116622908
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2ccc3cc(C)ccc32)no1
InChIInChI=1S/C15H17N3O/c1-3-4-15-16-14(17-19-15)10-18-8-7-12-9-11(2)5-6-13(12)18/h5-9H,3-4,10H2,1-2H3
InChIKeyCDDZFIFUWTULHF-UHFFFAOYSA-N
XLogP3.33
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methanamine
CID 102915694
3-[(6-bromoindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 116621916
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63750375
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915853
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
CID 102915939
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indole-4-carbonitrile
CID 107919053
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indole-5-carboxylic acid
CID 63749652
3-methyl-4-[(5-methylindol-1-yl)methyl]-1,2,5-oxadiazole
CID 116622953
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66408352
5-[(6-nitroindol-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 116621104
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
CID 102916032

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole (CID 116622908) is 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cn2ccc3cc(C)ccc32)no1.
What is the InChIKey of 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is CDDZFIFUWTULHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-4-15-16-14(17-19-15)10-18-8-7-12-9-11(2)5-6-13(12)18/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 255.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylindol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 116622908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).