(3-methyl-1,2,4-oxadiazol-5-yl)methanol

C4H6N2O2 — CID 14072448

IUPAC(3-methyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCc1noc(CO)n1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
InChIKeyOQKJMIGPYYWVKU-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.13
Rot. Bonds1

About (3-methyl-1,2,4-oxadiazol-5-yl)methanol

(3-methyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 14072448) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is (3-methyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID14072448
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name(3-methyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCc1noc(CO)n1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3
InChIKeyOQKJMIGPYYWVKU-UHFFFAOYSA-N
XLogP-0.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-methyl-1,2,4-oxadiazol-5-yl)methanol (CID 14072448) is (3-methyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-methyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-methyl-1,2,4-oxadiazol-5-yl)methanol is Cc1noc(CO)n1.
What is the InChIKey of (3-methyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is OQKJMIGPYYWVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3-5-4(2-7)8-6-3/h7H,2H2,1H3.
What are the key properties of (3-methyl-1,2,4-oxadiazol-5-yl)methanol?
(3-methyl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 114.10 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 14072448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).