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

C4H6N2O2 — CID 16767502

IUPAC(5-methyl-1,2,4-oxadiazol-3-yl)methanol
SMILESCc1nc(CO)no1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKeyQAMJOTCGJONJDI-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.13
Rot. Bonds1

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

(5-methyl-1,2,4-oxadiazol-3-yl)methanol (PubChem CID 16767502) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is (5-methyl-1,2,4-oxadiazol-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-1,2,4-oxadiazol-3-yl)methanol
PubChem CID16767502
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name(5-methyl-1,2,4-oxadiazol-3-yl)methanol
SMILESCc1nc(CO)no1
InChIInChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3
InChIKeyQAMJOTCGJONJDI-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 (5-methyl-1,2,4-oxadiazol-3-yl)methanol?
The IUPAC name of (5-methyl-1,2,4-oxadiazol-3-yl)methanol (CID 16767502) is (5-methyl-1,2,4-oxadiazol-3-yl)methanol.
What is the SMILES notation for (5-methyl-1,2,4-oxadiazol-3-yl)methanol?
The canonical SMILES for (5-methyl-1,2,4-oxadiazol-3-yl)methanol is Cc1nc(CO)no1.
What is the InChIKey of (5-methyl-1,2,4-oxadiazol-3-yl)methanol?
The InChIKey is QAMJOTCGJONJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-3-5-4(2-7)6-8-3/h7H,2H2,1H3.
What are the key properties of (5-methyl-1,2,4-oxadiazol-3-yl)methanol?
(5-methyl-1,2,4-oxadiazol-3-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 (5-methyl-1,2,4-oxadiazol-3-yl)methanol is sourced from PubChem (CID 16767502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).