2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole

C14H15N3O — CID 116546884

IUPAC2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2ccc3ccc(C)cc32)o1
InChIInChI=1S/C14H15N3O/c1-3-13-15-16-14(18-13)9-17-7-6-11-5-4-10(2)8-12(11)17/h4-8H,3,9H2,1-2H3
InChIKeyZOLIQZIXOLZMEB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.94
Rot. Bonds3

About 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 116546884) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID116546884
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(Cn2ccc3ccc(C)cc32)o1
InChIInChI=1S/C14H15N3O/c1-3-13-15-16-14(18-13)9-17-7-6-11-5-4-10(2)8-12(11)17/h4-8H,3,9H2,1-2H3
InChIKeyZOLIQZIXOLZMEB-UHFFFAOYSA-N
XLogP2.94
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]indole-6-carbonitrile
CID 107917152
1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylpyridin-2-one
CID 115698184
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-methylindole
CID 116546855
2-ethyl-5-(1-ethyl-6-methylindol-3-yl)-1,3,4-oxadiazole
CID 58039124
1-(2-bromoethyl)-6-methylindole
CID 130577129
6-methyl-1-[(5-nitrofuran-2-yl)methyl]indole
CID 116546889
1-decyl-6-methylindole
CID 116546893
2-[(6-chloroindol-1-yl)methyl]-4,5-dimethyl-1,3-oxazole
CID 116620548
1-(2,2-difluoroethyl)-6-methylindole
CID 116546869
2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
CID 113422630
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
2-[(6-methylindol-1-yl)methyl]benzamide
CID 116546878

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole (CID 116546884) is 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole is CCc1nnc(Cn2ccc3ccc(C)cc32)o1.
What is the InChIKey of 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZOLIQZIXOLZMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-13-15-16-14(18-13)9-17-7-6-11-5-4-10(2)8-12(11)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 241.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(6-methylindol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 116546884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).