5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole

C7H12N2OS — CID 130652596

IUPAC5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
SMILESCCSC(C)c1nc(C)no1
InChIInChI=1S/C7H12N2OS/c1-4-11-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3
InChIKeyXCZFQLRRBLTLGD-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.19
Rot. Bonds3

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

5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 130652596) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID130652596
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole
SMILESCCSC(C)c1nc(C)no1
InChIInChI=1S/C7H12N2OS/c1-4-11-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3
InChIKeyXCZFQLRRBLTLGD-UHFFFAOYSA-N
XLogP2.19
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(1R)-1-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 95579086
5-[1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 75399493
(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 93057386
5-[(1R)-1-[(5-ethoxy-2-pyridinyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 97228289
N,N-dimethyl-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanylmethyl]-1,2,4-thiadiazol-5-amine
CID 75434086
N-cyclopentyl-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]acetamide
CID 51088829
2-(3-methyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65223012
5-[1-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 60540937
5-[(1S)-1-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95761662
5,5-dimethyl-3-[2-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylethyl]imidazolidine-2,4-dione
CID 94192945
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531
3-methyl-5-[1-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 75399494

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole (CID 130652596) is 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole is CCSC(C)c1nc(C)no1.
What is the InChIKey of 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is XCZFQLRRBLTLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4-11-5(2)7-8-6(3)9-10-7/h5H,4H2,1-3H3.
What are the key properties of 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole?
5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 172.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfanylethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 130652596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).