2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

C16H13FN2OS — CID 3239070

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(SCc2ccccc2F)o1
InChIInChI=1S/C16H13FN2OS/c1-11-6-2-4-8-13(11)15-18-19-16(20-15)21-10-12-7-3-5-9-14(12)17/h2-9H,10H2,1H3
InChIKeyAOOGMVPVDBJWOO-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.48
Rot. Bonds4

About 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (PubChem CID 3239070) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
PubChem CID3239070
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(SCc2ccccc2F)o1
InChIInChI=1S/C16H13FN2OS/c1-11-6-2-4-8-13(11)15-18-19-16(20-15)21-10-12-7-3-5-9-14(12)17/h2-9H,10H2,1H3
InChIKeyAOOGMVPVDBJWOO-UHFFFAOYSA-N
XLogP4.48
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole (CID 3239070) is 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(SCc2ccccc2F)o1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is AOOGMVPVDBJWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-11-6-2-4-8-13(11)15-18-19-16(20-15)21-10-12-7-3-5-9-14(12)17/h2-9H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole?
2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 3239070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).