ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole

C12H16N2OS — CID 178170665

IUPACethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESCC.CSCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H10N2OS.C2H6/c1-14-7-9-11-12-10(13-9)8-5-3-2-4-6-8;1-2/h2-6H,7H2,1H3;1-2H3
InChIKeyQTVRHMSCTUVPMS-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.63
Rot. Bonds3

About ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole

ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 178170665) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Nameethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID178170665
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Nameethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole
SMILESCC.CSCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C10H10N2OS.C2H6/c1-14-7-9-11-12-10(13-9)8-5-3-2-4-6-8;1-2/h2-6H,7H2,1H3;1-2H3
InChIKeyQTVRHMSCTUVPMS-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 79133881
2-[(4-chlorophenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 78762124
4-methyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 8980150
2-phenyl-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2106171
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 95990008
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 71993088
6-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-4-amine
CID 17470671
1-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84671547

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole (CID 178170665) is ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole is CC.CSCc1nnc(-c2ccccc2)o1.
What is the InChIKey of ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QTVRHMSCTUVPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS.C2H6/c1-14-7-9-11-12-10(13-9)8-5-3-2-4-6-8;1-2/h2-6H,7H2,1H3;1-2H3.
What are the key properties of ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole?
ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 236.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methylsulfanylmethyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 178170665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).