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

C7H12N2O2 — CID 43558836

IUPAC(3-butyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCCCCc1noc(CO)n1
InChIInChI=1S/C7H12N2O2/c1-2-3-4-6-8-7(5-10)11-9-6/h10H,2-5H2,1H3
InChIKeyGGHUVKQOIHRJDT-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.90
Rot. Bonds4

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

(3-butyl-1,2,4-oxadiazol-5-yl)methanol (PubChem CID 43558836) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3-butyl-1,2,4-oxadiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-butyl-1,2,4-oxadiazol-5-yl)methanol
PubChem CID43558836
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(3-butyl-1,2,4-oxadiazol-5-yl)methanol
SMILESCCCCc1noc(CO)n1
InChIInChI=1S/C7H12N2O2/c1-2-3-4-6-8-7(5-10)11-9-6/h10H,2-5H2,1H3
InChIKeyGGHUVKQOIHRJDT-UHFFFAOYSA-N
XLogP0.90
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-butyl-1,2,4-oxadiazol-5-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-butyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 79002327
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-one
CID 79412961
methyl 2-(3-butyl-1,2,4-oxadiazol-5-yl)acetate
CID 79474456
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
2-(3-pentyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 70237676
[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660354
(2S)-2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-4-methylpentan-1-amine
CID 104916154
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methylamino]acetamide
CID 107436449
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]ethanol
CID 110903094
3-(5-undecyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 65428333
[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353

Frequently Asked Questions

What is the IUPAC name of (3-butyl-1,2,4-oxadiazol-5-yl)methanol?
The IUPAC name of (3-butyl-1,2,4-oxadiazol-5-yl)methanol (CID 43558836) is (3-butyl-1,2,4-oxadiazol-5-yl)methanol.
What is the SMILES notation for (3-butyl-1,2,4-oxadiazol-5-yl)methanol?
The canonical SMILES for (3-butyl-1,2,4-oxadiazol-5-yl)methanol is CCCCc1noc(CO)n1.
What is the InChIKey of (3-butyl-1,2,4-oxadiazol-5-yl)methanol?
The InChIKey is GGHUVKQOIHRJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-2-3-4-6-8-7(5-10)11-9-6/h10H,2-5H2,1H3.
What are the key properties of (3-butyl-1,2,4-oxadiazol-5-yl)methanol?
(3-butyl-1,2,4-oxadiazol-5-yl)methanol has a molecular weight of 156.18 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-1,2,4-oxadiazol-5-yl)methanol is sourced from PubChem (CID 43558836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).