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

C7H12N2O2 — CID 43558834

IUPAC(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCC(C)(C)c1noc(CO)n1
InChIInChI=1S/C7H12N2O2/c1-7(2,3)6-8-5(4-10)11-9-6/h10H,4H2,1-3H3
InChIKeyQXMAPZPDOWOHKD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.86
Rot. Bonds1

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

(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 43558834) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID43558834
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCC(C)(C)c1noc(CO)n1
InChIInChI=1S/C7H12N2O2/c1-7(2,3)6-8-5(4-10)11-9-6/h10H,4H2,1-3H3
InChIKeyQXMAPZPDOWOHKD-UHFFFAOYSA-N
XLogP0.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol (CID 43558834) is (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol is CC(C)(C)c1noc(CO)n1.
What is the InChIKey of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is QXMAPZPDOWOHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-7(2,3)6-8-5(4-10)11-9-6/h10H,4H2,1-3H3.
What are the key properties of (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol?
(3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 156.18 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 43558834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).