3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)

C23H32N14O4S — CID 160733741

IUPAC3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
SMILESCc1ccoc1.Cc1cnno1.Cc1conn1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1
InChIInChI=1S/C5H6O.2C3H5N3.3C3H4N2O.C3H4N2S/c1-5-2-3-6-4-5;3*1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-4-2-5-6-3/h2-4H,1H3;2*2H,1H3,(H,4,5,6);4*2H,1H3
InChIKeyRURIRNWPYTWVTK-UHFFFAOYSA-N
MW600.67 g/mol
LogP3.79
Rot. Bonds

About 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) (PubChem CID 160733741) has the molecular formula C23H32N14O4S and a molecular weight of 600.67 g/mol. Its IUPAC name is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole).

Molecular Properties

Compound Name3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
PubChem CID160733741
Molecular FormulaC23H32N14O4S
Molecular Weight600.67 g/mol
Exact Mass600.25
IUPAC Name3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
SMILESCc1ccoc1.Cc1cnno1.Cc1conn1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1
InChIInChI=1S/C5H6O.2C3H5N3.3C3H4N2O.C3H4N2S/c1-5-2-3-6-4-5;3*1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-4-2-5-6-3/h2-4H,1H3;2*2H,1H3,(H,4,5,6);4*2H,1H3
InChIKeyRURIRNWPYTWVTK-UHFFFAOYSA-N
XLogP3.79
TPSA238.82 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.67
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) with MolForge

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Related Compounds

ethane;3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)
CID 157063827
3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;3-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 160587326

Frequently Asked Questions

What is the IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?
The IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) (CID 160733741) is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole).
What is the SMILES notation for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?
The canonical SMILES for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) is Cc1ccoc1.Cc1cnno1.Cc1conn1.Cc1ncn[nH]1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.
What is the InChIKey of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?
The InChIKey is RURIRNWPYTWVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O.2C3H5N3.3C3H4N2O.C3H4N2S/c1-5-2-3-6-4-5;3*1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-4-2-5-6-3/h2-4H,1H3;2*2H,1H3,(H,4,5,6);4*2H,1H3.
What are the key properties of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole)?
3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) has a molecular weight of 600.67 g/mol, XLogP of 3.79, 0 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;5-methyl-1,2,4-thiadiazole;bis(5-methyl-1H-1,2,4-triazole) is sourced from PubChem (CID 160733741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).