2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole

C7H9N3O2 — CID 142022754

IUPAC2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole
SMILESCc1ncco1.Cc1nnco1
InChIInChI=1S/C4H5NO.C3H4N2O/c1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2-3H,1H3;2H,1H3
InChIKeyPVYRAOZDMNTMEB-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.36
Rot. Bonds

About 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole

2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole (PubChem CID 142022754) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole
PubChem CID142022754
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole
SMILESCc1ncco1.Cc1nnco1
InChIInChI=1S/C4H5NO.C3H4N2O/c1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2-3H,1H3;2H,1H3
InChIKeyPVYRAOZDMNTMEB-UHFFFAOYSA-N
XLogP1.36
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole?
The IUPAC name of 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole (CID 142022754) is 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole.
What is the SMILES notation for 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole?
The canonical SMILES for 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole is Cc1ncco1.Cc1nnco1.
What is the InChIKey of 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole?
The InChIKey is PVYRAOZDMNTMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO.C3H4N2O/c1-4-5-2-3-6-4;1-3-5-4-2-6-3/h2-3H,1H3;2H,1H3.
What are the key properties of 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole?
2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole has a molecular weight of 167.17 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole is sourced from PubChem (CID 142022754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).