2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

C14H16N2O2S — CID 75432623

IUPAC2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1ccccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C14H16N2O2S/c1-2-19-12-6-4-3-5-11(12)17-9-13-15-16-14(18-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyHEKVOLIQQIGJEH-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.64
Rot. Bonds6

About 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole

2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 75432623) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID75432623
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCSc1ccccc1OCc1nnc(C2CC2)o1
InChIInChI=1S/C14H16N2O2S/c1-2-19-12-6-4-3-5-11(12)17-9-13-15-16-14(18-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3
InChIKeyHEKVOLIQQIGJEH-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole (CID 75432623) is 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is CCSc1ccccc1OCc1nnc(C2CC2)o1.
What is the InChIKey of 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is HEKVOLIQQIGJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-19-12-6-4-3-5-11(12)17-9-13-15-16-14(18-13)10-7-8-10/h3-6,10H,2,7-9H2,1H3.
What are the key properties of 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole?
2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 276.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(2-ethylsulfanylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 75432623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).