5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

C11H16N4OS — CID 47147764

IUPAC5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nccn2CC)n1
InChIInChI=1S/C11H16N4OS/c1-3-5-9-13-10(16-14-9)8-17-11-12-6-7-15(11)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyFUKBILDQZCYIHH-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.53
Rot. Bonds6

About 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole

5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47147764) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47147764
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CSc2nccn2CC)n1
InChIInChI=1S/C11H16N4OS/c1-3-5-9-13-10(16-14-9)8-17-11-12-6-7-15(11)4-2/h6-7H,3-5,8H2,1-2H3
InChIKeyFUKBILDQZCYIHH-UHFFFAOYSA-N
XLogP2.53
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-3-[(1-ethylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 46574980
5-[(1-methylbenzimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47146324
3-[(2-ethylimidazol-1-yl)methyl]-5-propyl-1,2,4-oxadiazole
CID 53193127
5-[(4-fluorophenyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 134040236
4-methyl-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79141342
2-(2-chloroethylsulfanyl)-1-ethylimidazole
CID 62136783
4-chloro-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]aniline
CID 79134181
3-(4-methoxyphenyl)-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 36694338
3-(2-methylfuran-3-yl)-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 36752749
1-[3-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]ethanol
CID 64665733
2-[(1-ethylimidazol-2-yl)sulfanylmethyl]quinazolin-4-amine
CID 25416413
2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3-benzoxazole
CID 52557868

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole (CID 47147764) is 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CSc2nccn2CC)n1.
What is the InChIKey of 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is FUKBILDQZCYIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-3-5-9-13-10(16-14-9)8-17-11-12-6-7-15(11)4-2/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 252.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylimidazol-2-yl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47147764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).