2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

C19H18N6OS — CID 46821309

IUPAC2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SC(C)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H18N6OS/c1-12-9-10-16(13(2)11-12)25-19(22-23-24-25)27-14(3)17-20-21-18(26-17)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChIKeyOPTOZAZBXKKFAJ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.18
Rot. Bonds5

About 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 46821309) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID46821309
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(-n2nnnc2SC(C)c2nnc(-c3ccccc3)o2)c(C)c1
InChIInChI=1S/C19H18N6OS/c1-12-9-10-16(13(2)11-12)25-19(22-23-24-25)27-14(3)17-20-21-18(26-17)15-7-5-4-6-8-15/h4-11,14H,1-3H3
InChIKeyOPTOZAZBXKKFAJ-UHFFFAOYSA-N
XLogP4.18
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-5-[(1R)-1-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3,4-oxadiazole
CID 8799663
2-phenyl-5-[1-(2,4,6-trimethylphenyl)sulfanylethyl]-1,3,4-oxadiazole
CID 24633519
4-[5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]tetrazol-1-yl]phenol
CID 51202933
2-[1-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807804
2-[1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanylethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 46824502
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590
2-[1-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 78807673
2-[(1R)-1-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 7630065
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)propanamide
CID 51234652
3-(3-fluorophenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,2,4-triazol-4-amine
CID 8954429
2-[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 51312887

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole (CID 46821309) is 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(-n2nnnc2SC(C)c2nnc(-c3ccccc3)o2)c(C)c1.
What is the InChIKey of 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is OPTOZAZBXKKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-12-9-10-16(13(2)11-12)25-19(22-23-24-25)27-14(3)17-20-21-18(26-17)15-7-5-4-6-8-15/h4-11,14H,1-3H3.
What are the key properties of 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 378.46 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 46821309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).