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

C16H15N3OS — CID 78789981

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC1Cc2ccccc2N1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H15N3OS/c1-11-9-12-5-2-3-6-13(12)19(11)10-15-17-18-16(20-15)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3
InChIKeyCBPBAWXFRGOGBW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds3

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

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 78789981) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID78789981
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCC1Cc2ccccc2N1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C16H15N3OS/c1-11-9-12-5-2-3-6-13(12)19(11)10-15-17-18-16(20-15)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3
InChIKeyCBPBAWXFRGOGBW-UHFFFAOYSA-N
XLogP3.75
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 78789981) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is CC1Cc2ccccc2N1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is CBPBAWXFRGOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-9-12-5-2-3-6-13(12)19(11)10-15-17-18-16(20-15)14-7-4-8-21-14/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 297.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 78789981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).