5-methyl-1,3,4-oxadiazol-2-olate

C3H3N2O2- — CID 140658637

IUPAC5-methyl-1,3,4-oxadiazol-2-olate
SMILESCc1nnc([O-])o1
InChIInChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)/p-1
InChIKeyNNXROHRFMWHXNH-UHFFFAOYSA-M
MW99.07 g/mol
LogP-0.55
Rot. Bonds

About 5-methyl-1,3,4-oxadiazol-2-olate

5-methyl-1,3,4-oxadiazol-2-olate (PubChem CID 140658637) has the molecular formula C3H3N2O2- and a molecular weight of 99.07 g/mol. Its IUPAC name is 5-methyl-1,3,4-oxadiazol-2-olate.

Molecular Properties

Compound Name5-methyl-1,3,4-oxadiazol-2-olate
PubChem CID140658637
Molecular FormulaC3H3N2O2-
Molecular Weight99.07 g/mol
Exact Mass99.02
IUPAC Name5-methyl-1,3,4-oxadiazol-2-olate
SMILESCc1nnc([O-])o1
InChIInChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)/p-1
InChIKeyNNXROHRFMWHXNH-UHFFFAOYSA-M
XLogP-0.55
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.07
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-1,3,4-oxadiazole;propane
CID 143140950
CID 58872840
CID 58872840
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
potassium;hydride;(5-methyl-1,3,4-oxadiazol-2-yl) formate
CID 173021686
2-methyl-5-(3-methylazetidin-3-yl)-1,3,4-oxadiazole
CID 125449104
2-(1-fluoroethyl)-5-methyl-1,3,4-oxadiazole
CID 156526327
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole;ethane
CID 145188643
sodium 2-(5-methyl-1,3,4-oxadiazol-2-yl)acetate
CID 135389336
N-ethyl-5-methyl-1,3,4-oxadiazol-2-amine
CID 88975148
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
3,3-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]butan-1-amine
CID 62580275
O-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]hydroxylamine
CID 59479251

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4-oxadiazol-2-olate?
The IUPAC name of 5-methyl-1,3,4-oxadiazol-2-olate (CID 140658637) is 5-methyl-1,3,4-oxadiazol-2-olate.
What is the SMILES notation for 5-methyl-1,3,4-oxadiazol-2-olate?
The canonical SMILES for 5-methyl-1,3,4-oxadiazol-2-olate is Cc1nnc([O-])o1.
What is the InChIKey of 5-methyl-1,3,4-oxadiazol-2-olate?
The InChIKey is NNXROHRFMWHXNH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)/p-1.
What are the key properties of 5-methyl-1,3,4-oxadiazol-2-olate?
5-methyl-1,3,4-oxadiazol-2-olate has a molecular weight of 99.07 g/mol, XLogP of -0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4-oxadiazol-2-olate is sourced from PubChem (CID 140658637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).