2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C11H10ClFN2OS — CID 91651316

IUPAC2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H10ClFN2OS/c1-7-14-15-11(16-7)6-17-5-8-2-3-10(13)9(12)4-8/h2-4H,5-6H2,1H3
InChIKeyAPYOPQZLAUSETF-UHFFFAOYSA-N
MW272.73 g/mol
LogP3.60
Rot. Bonds4

About 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole

2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 91651316) has the molecular formula C11H10ClFN2OS and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID91651316
Molecular FormulaC11H10ClFN2OS
Molecular Weight272.73 g/mol
Exact Mass272.02
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C11H10ClFN2OS/c1-7-14-15-11(16-7)6-17-5-8-2-3-10(13)9(12)4-8/h2-4H,5-6H2,1H3
InChIKeyAPYOPQZLAUSETF-UHFFFAOYSA-N
XLogP3.60
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-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

Related Compounds

3-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-4-methyl-1,2,4-triazole
CID 86818498
2-methyl-5-[(4-propan-2-ylsulfanylphenyl)methylsulfanylmethyl]-1,3,4-oxadiazole
CID 75484245
ethyl 5-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 103037761
2-chloro-4-[(3-chloro-2-methylpropyl)sulfanylmethyl]-1-fluorobenzene
CID 103042472
2-(4-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3164486
2-chloro-4-[(4-chlorophenyl)sulfanylmethyl]-1-fluorobenzene
CID 91657109
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 71853110
N-(3-chloro-4-fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4027628
2-[[6-(3-chloro-4-fluorophenyl)-3-fluoropyrazolo[4,3-b]pyridin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 155388907
2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
CID 84587259
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 91651316) is 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CSCc2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is APYOPQZLAUSETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2OS/c1-7-14-15-11(16-7)6-17-5-8-2-3-10(13)9(12)4-8/h2-4H,5-6H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 272.73 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 91651316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).