2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole

C18H25N13O4S — CID 158165065

IUPAC2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole
SMILESCc1cnoc1.Cc1csnn1.Cc1ncno1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1
InChIInChI=1S/C4H5NO.3C3H4N2O.C3H4N2S.C2H4N4/c1-4-2-5-6-3-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-2-3-5-6-4-2/h2-3H,1H3;4*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyFWSWUQJLSRMCOO-UHFFFAOYSA-N
MW519.55 g/mol
LogP2.47
Rot. Bonds

About 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole

2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole (PubChem CID 158165065) has the molecular formula C18H25N13O4S and a molecular weight of 519.55 g/mol. Its IUPAC name is 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole.

Molecular Properties

Compound Name2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole
PubChem CID158165065
Molecular FormulaC18H25N13O4S
Molecular Weight519.55 g/mol
Exact Mass519.19
IUPAC Name2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole
SMILESCc1cnoc1.Cc1csnn1.Cc1ncno1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1
InChIInChI=1S/C4H5NO.3C3H4N2O.C3H4N2S.C2H4N4/c1-4-2-5-6-3-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-2-3-5-6-4-2/h2-3H,1H3;4*2H,1H3;1H3,(H,3,4,5,6)
InChIKeyFWSWUQJLSRMCOO-UHFFFAOYSA-N
XLogP2.47
TPSA223.03 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.55
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole?
The IUPAC name of 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole (CID 158165065) is 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole.
What is the SMILES notation for 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole?
The canonical SMILES for 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole is Cc1cnoc1.Cc1csnn1.Cc1ncno1.Cc1ncon1.Cc1nn[nH]n1.Cc1nnco1.
What is the InChIKey of 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole?
The InChIKey is FWSWUQJLSRMCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.3C3H4N2O.C3H4N2S.C2H4N4/c1-4-2-5-6-3-4;1-3-5-4-2-6-3;1-3-4-2-6-5-3;1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-2-3-5-6-4-2/h2-3H,1H3;4*2H,1H3;1H3,(H,3,4,5,6).
What are the key properties of 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole?
2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole has a molecular weight of 519.55 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;5-methyl-2H-tetrazole;4-methylthiadiazole is sourced from PubChem (CID 158165065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).