2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

C10H8F2N2OS — CID 78814718

IUPAC2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSc2ccc(F)c(F)c2)o1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-14-10(15-6)5-16-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3
InChIKeyYWCHHHAWHOPOOS-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.95
Rot. Bonds3

About 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole

2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 78814718) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
PubChem CID78814718
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CSc2ccc(F)c(F)c2)o1
InChIInChI=1S/C10H8F2N2OS/c1-6-13-14-10(15-6)5-16-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3
InChIKeyYWCHHHAWHOPOOS-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-5-methyl-1,3,4-oxadiazole
CID 78759890
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzaldehyde
CID 66356189
N-[[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]phenyl]methyl]ethanamine
CID 66349005
2-[(3-chloro-4-fluorophenyl)methylsulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 91651316
2-(4-chlorophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3164486
2-methyl-5-(thiophen-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 130694723
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 43416948
6-[(3,4-difluorophenyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8926530
2-[[4-(2,4-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 8873789
2-[[(R)-(4-fluorophenyl)-phenylmethyl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 97320765
(1R)-1-[2-fluoro-5-(1,2,4-trifluorobutoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 175569814

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole (CID 78814718) is 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CSc2ccc(F)c(F)c2)o1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is YWCHHHAWHOPOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-6-13-14-10(15-6)5-16-7-2-3-8(11)9(12)4-7/h2-4H,5H2,1H3.
What are the key properties of 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole?
2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 242.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfanylmethyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 78814718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).