3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol

C8H15N3O2 — CID 106659811

IUPAC3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCc1noc(NCC(C)CCO)n1
InChIInChI=1S/C8H15N3O2/c1-6(3-4-12)5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNIQULTDLZPXTHR-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.81
Rot. Bonds5

About 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol

3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (PubChem CID 106659811) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
PubChem CID106659811
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol
SMILESCc1noc(NCC(C)CCO)n1
InChIInChI=1S/C8H15N3O2/c1-6(3-4-12)5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyNIQULTDLZPXTHR-UHFFFAOYSA-N
XLogP0.81
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-Methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 55288403
3-methyl-N-(oxan-4-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106659735
2-[5-(Propan-2-ylamino)-1,2,4-oxadiazol-3-yl]ethanol
CID 172480465
1-[(3-Methyl-1,2,4-oxadiazol-5-yl)amino]ethanol
CID 172999182
3-(2-methylpropyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594845
N,3-bis(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595439
N-ethyl-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595587
3-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595619
N-(2-methoxyethyl)-3-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 62595970
3-butan-2-yl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 63717621
3-butan-2-yl-N-propyl-1,2,4-oxadiazol-5-amine
CID 63717622
3-butan-2-yl-N-(2-methylpropyl)-1,2,4-oxadiazol-5-amine
CID 63717815

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol (CID 106659811) is 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is Cc1noc(NCC(C)CCO)n1.
What is the InChIKey of 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
The InChIKey is NIQULTDLZPXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(3-4-12)5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol?
3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol has a molecular weight of 185.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 106659811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).