2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole

C10H7ClF2N2OS — CID 97035669

IUPAC2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(F)(F)Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H7ClF2N2OS/c1-6-14-15-9(16-6)10(12,13)17-8-4-2-7(11)3-5-8/h2-5H,1H3
InChIKeyPSAOIRDXZYYJMM-UHFFFAOYSA-N
MW276.70 g/mol
LogP3.87
Rot. Bonds3

About 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole

2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 97035669) has the molecular formula C10H7ClF2N2OS and a molecular weight of 276.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID97035669
Molecular FormulaC10H7ClF2N2OS
Molecular Weight276.70 g/mol
Exact Mass275.99
IUPAC Name2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(C(F)(F)Sc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H7ClF2N2OS/c1-6-14-15-9(16-6)10(12,13)17-8-4-2-7(11)3-5-8/h2-5H,1H3
InChIKeyPSAOIRDXZYYJMM-UHFFFAOYSA-N
XLogP3.87
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole (CID 97035669) is 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(C(F)(F)Sc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is PSAOIRDXZYYJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2OS/c1-6-14-15-9(16-6)10(12,13)17-8-4-2-7(11)3-5-8/h2-5H,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 276.70 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 97035669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).