5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

C17H22N2OS — CID 71031582

IUPAC5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CC2CC(C1)CC(c1nc(Cc3cccs3)no1)C2
InChIInChI=1S/C17H22N2OS/c1-11-5-12-7-13(6-11)9-14(8-12)17-18-16(19-20-17)10-15-3-2-4-21-15/h2-4,11-14H,5-10H2,1H3
InChIKeyPIHJWSFEOPLGEG-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.65
Rot. Bonds3

About 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole

5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 71031582) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID71031582
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESCC1CC2CC(C1)CC(c1nc(Cc3cccs3)no1)C2
InChIInChI=1S/C17H22N2OS/c1-11-5-12-7-13(6-11)9-14(8-12)17-18-16(19-20-17)10-15-3-2-4-21-15/h2-4,11-14H,5-10H2,1H3
InChIKeyPIHJWSFEOPLGEG-UHFFFAOYSA-N
XLogP4.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 71031582) is 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is CC1CC2CC(C1)CC(c1nc(Cc3cccs3)no1)C2.
What is the InChIKey of 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PIHJWSFEOPLGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-5-12-7-13(6-11)9-14(8-12)17-18-16(19-20-17)10-15-3-2-4-21-15/h2-4,11-14H,5-10H2,1H3.
What are the key properties of 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 302.44 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyl-3-bicyclo[3.3.1]nonanyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71031582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).