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

C9H12N2OS — CID 10535896

IUPAC5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC1N=C(Cc2cccs2)NO1
InChIInChI=1S/C9H12N2OS/c1-2-9-10-8(11-12-9)6-7-4-3-5-13-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyBEDRLYFDCFLBRL-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.96
Rot. Bonds3

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

5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 10535896) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole
PubChem CID10535896
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole
SMILESCCC1N=C(Cc2cccs2)NO1
InChIInChI=1S/C9H12N2OS/c1-2-9-10-8(11-12-9)6-7-4-3-5-13-7/h3-5,9H,2,6H2,1H3,(H,10,11)
InChIKeyBEDRLYFDCFLBRL-UHFFFAOYSA-N
XLogP1.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(thiophen-2-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54611616
4-N-methyl-6-morpholin-4-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773229
2-[2-(chloromethyl)-2-methylpentyl]thiophene
CID 66035583
5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 118564355
3-propyl-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 61336540
4-chloro-6-(thiophen-2-ylmethyl)-1,3,5-triazin-2-amine
CID 83241447
2-[3-(chloromethyl)-3-methylhexyl]thiophene
CID 66034465
2-methyl-5-(thiophen-2-ylmethyl)-1,3,4-oxadiazole
CID 131065798
2-ethyl-4-(thiophen-2-ylmethyl)thiophene
CID 13356124
5-bromo-3-(thiophen-2-ylmethyl)-1,2,4-thiadiazole
CID 102617959
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
2-[2,2-bis(chloromethyl)-3-methylbutyl]thiophene
CID 79447784

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole (CID 10535896) is 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole is CCC1N=C(Cc2cccs2)NO1.
What is the InChIKey of 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is BEDRLYFDCFLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-2-9-10-8(11-12-9)6-7-4-3-5-13-7/h3-5,9H,2,6H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole?
5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 196.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(thiophen-2-ylmethyl)-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 10535896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).