2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole

C8H8N2OS — CID 131065798

IUPAC2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(Cc2cccs2)o1
InChIInChI=1S/C8H8N2OS/c1-6-9-10-8(11-6)5-7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyMKEVDGLZIJLMGQ-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.03
Rot. Bonds2

About 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole

2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 131065798) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID131065798
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
SMILESCc1nnc(Cc2cccs2)o1
InChIInChI=1S/C8H8N2OS/c1-6-9-10-8(11-6)5-7-3-2-4-12-7/h2-4H,5H2,1H3
InChIKeyMKEVDGLZIJLMGQ-UHFFFAOYSA-N
XLogP2.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 16768121
2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 130694723
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 102677243
phenyl-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62071471
2-[(2,3-dimethylphenyl)methyl]thiophene
CID 54195522
2-methyl-5-[[4-(2-phenylethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 17442678
(1R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 99821912
N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 42109993
2-methyl-5-[(5-methylfuran-2-yl)methyl]-1,3,4-oxadiazole
CID 130662821
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
2-[(3-chloro-2-methylphenyl)methyl]thiophene
CID 174830599
2-methyl-3-(thiophen-2-ylmethyl)aniline
CID 39240617

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole (CID 131065798) is 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole is Cc1nnc(Cc2cccs2)o1.
What is the InChIKey of 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is MKEVDGLZIJLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-6-9-10-8(11-6)5-7-3-2-4-12-7/h2-4H,5H2,1H3.
What are the key properties of 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole?
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 180.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 131065798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).