2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole

C13H16N2OS — CID 110656446

IUPAC2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CSC(C)C)o1
InChIInChI=1S/C13H16N2OS/c1-9(2)17-8-12-14-15-13(16-12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyZVCZHXWKARJALJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole

2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole (PubChem CID 110656446) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
PubChem CID110656446
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
SMILESCc1ccccc1-c1nnc(CSC(C)C)o1
InChIInChI=1S/C13H16N2OS/c1-9(2)17-8-12-14-15-13(16-12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3
InChIKeyZVCZHXWKARJALJ-UHFFFAOYSA-N
XLogP3.69
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55044443
2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
2-(2-methylphenyl)-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 110656440
2-methyl-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 110656410
(1S)-1-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 42046774
2-(2-methylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 19060529
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]butanoic acid
CID 66136486
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-methylbutanoic acid
CID 105353798
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
1-[1-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 111461982
2-[(3-chlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655637

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole (CID 110656446) is 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole is Cc1ccccc1-c1nnc(CSC(C)C)o1.
What is the InChIKey of 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
The InChIKey is ZVCZHXWKARJALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(2)17-8-12-14-15-13(16-12)11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole?
2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole has a molecular weight of 248.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-5-(propan-2-ylsulfanylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).