2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole

C16H18N4O3S — CID 97224760

IUPAC2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H](C)[S@@](=O)Cc2nc(-c3ccc(C)cc3)no2)o1
InChIInChI=1S/C16H18N4O3S/c1-4-13-18-19-16(22-13)11(3)24(21)9-14-17-15(20-23-14)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3/t11-,24-/m0/s1
InChIKeyFKMLKNIDWJOPCZ-BUBHHJDNSA-N
MW346.41 g/mol
LogP3.00
Rot. Bonds6

About 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole

2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole (PubChem CID 97224760) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole
PubChem CID97224760
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H](C)[S@@](=O)Cc2nc(-c3ccc(C)cc3)no2)o1
InChIInChI=1S/C16H18N4O3S/c1-4-13-18-19-16(22-13)11(3)24(21)9-14-17-15(20-23-14)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3/t11-,24-/m0/s1
InChIKeyFKMLKNIDWJOPCZ-BUBHHJDNSA-N
XLogP3.00
TPSA94.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole (CID 97224760) is 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole is CCc1nnc([C@H](C)[S@@](=O)Cc2nc(-c3ccc(C)cc3)no2)o1.
What is the InChIKey of 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is FKMLKNIDWJOPCZ-BUBHHJDNSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-4-13-18-19-16(22-13)11(3)24(21)9-14-17-15(20-23-14)12-7-5-10(2)6-8-12/h5-8,11H,4,9H2,1-3H3/t11-,24-/m0/s1.
What are the key properties of 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole?
2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 346.41 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(1S)-1-[(S)-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfinyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 97224760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).