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

C15H17N3O2 — CID 116625614

IUPAC2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCCOc1ccc2c(ccn2Cc2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-3-8-19-13-4-5-14-12(9-13)6-7-18(14)10-15-17-16-11(2)20-15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyLIPNEXAUPJLZPB-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.17
Rot. Bonds5

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

2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 116625614) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID116625614
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCCOc1ccc2c(ccn2Cc2nnc(C)o2)c1
InChIInChI=1S/C15H17N3O2/c1-3-8-19-13-4-5-14-12(9-13)6-7-18(14)10-15-17-16-11(2)20-15/h4-7,9H,3,8,10H2,1-2H3
InChIKeyLIPNEXAUPJLZPB-UHFFFAOYSA-N
XLogP3.17
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

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Related Compounds

2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630
1-[(5-methyl-3-pyridinyl)methyl]-5-propoxyindole
CID 102879254
5-propoxy-1-(thiophen-2-ylmethyl)indole
CID 116625667
5-propoxy-1-(2-pyrazol-1-ylethyl)indole
CID 116625600
2-(5-propoxyindol-1-yl)ethanamine
CID 80643088
1-[(5-bromo-2-pyridinyl)methyl]-5-propoxyindole
CID 116625540
3-[(5-propoxyindol-1-yl)methyl]aniline
CID 80648798
1-[(3-fluorophenyl)methyl]-5-propoxyindole
CID 116625580
1-(2-methylbutyl)-5-propoxyindole
CID 116625570
5-propoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 116625520
1-(2-piperidin-1-ylethyl)-5-propoxyindole
CID 116625548
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole (CID 116625614) is 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole is CCCOc1ccc2c(ccn2Cc2nnc(C)o2)c1.
What is the InChIKey of 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is LIPNEXAUPJLZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-8-19-13-4-5-14-12(9-13)6-7-18(14)10-15-17-16-11(2)20-15/h4-7,9H,3,8,10H2,1-2H3.
What are the key properties of 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 271.32 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 116625614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).