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

C13H13N3O2 — CID 113422630

IUPAC2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2nnc(C)o2)c1
InChIInChI=1S/C13H13N3O2/c1-9-14-15-13(18-9)8-16-6-5-10-7-11(17-2)3-4-12(10)16/h3-7H,8H2,1-2H3
InChIKeyWOVSGVKNVVXQCF-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.39
Rot. Bonds3

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

2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 113422630) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID113422630
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole
SMILESCOc1ccc2c(ccn2Cc2nnc(C)o2)c1
InChIInChI=1S/C13H13N3O2/c1-9-14-15-13(18-9)8-16-6-5-10-7-11(17-2)3-4-12(10)16/h3-7H,8H2,1-2H3
InChIKeyWOVSGVKNVVXQCF-UHFFFAOYSA-N
XLogP2.39
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(5-propoxyindol-1-yl)methyl]-1,3,4-oxadiazole
CID 116625614
5-methoxy-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]indole
CID 116619485
5-methoxy-1-[(5-methyl-3-pyridinyl)methyl]indole
CID 102879209
5-[(5-methoxyindol-1-yl)methyl]-1,2-oxazole
CID 116619426
3-cyclopropyl-5-[(5-methoxyindol-1-yl)methyl]-1,2,4-oxadiazole
CID 115619569
[2-[(5-methoxyindol-1-yl)methyl]phenyl]methanamine
CID 43329869
6-[(5-methoxyindol-1-yl)methyl]pyridine-2-carboxylic acid
CID 106903651
5-methoxy-1-prop-2-ynylindole
CID 45091362
1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-5-methoxyindole
CID 116619358
[4-[(5-methoxyindol-1-yl)methyl]phenoxy]boronic acid
CID 169006286
5-methoxy-1-(3-methylbut-2-enyl)indole
CID 116619398
5-methoxy-1-(2-methylsulfanylethyl)indole
CID 116619344

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole (CID 113422630) is 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is COc1ccc2c(ccn2Cc2nnc(C)o2)c1.
What is the InChIKey of 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is WOVSGVKNVVXQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-14-15-13(18-9)8-16-6-5-10-7-11(17-2)3-4-12(10)16/h3-7H,8H2,1-2H3.
What are the key properties of 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole?
2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 243.27 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxyindol-1-yl)methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 113422630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).