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

C12H23N3O2 — CID 107204044

IUPAC5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
SMILESCC(C)c1noc(CN(C)CCCCCO)n1
InChIInChI=1S/C12H23N3O2/c1-10(2)12-13-11(17-14-12)9-15(3)7-5-4-6-8-16/h10,16H,4-9H2,1-3H3
InChIKeyOEIIXWPYCFMJMJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds8

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

5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol (PubChem CID 107204044) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
PubChem CID107204044
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol
SMILESCC(C)c1noc(CN(C)CCCCCO)n1
InChIInChI=1S/C12H23N3O2/c1-10(2)12-13-11(17-14-12)9-15(3)7-5-4-6-8-16/h10,16H,4-9H2,1-3H3
InChIKeyOEIIXWPYCFMJMJ-UHFFFAOYSA-N
XLogP1.79
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol?
The IUPAC name of 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol (CID 107204044) is 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol?
The canonical SMILES for 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol is CC(C)c1noc(CN(C)CCCCCO)n1.
What is the InChIKey of 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol?
The InChIKey is OEIIXWPYCFMJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10(2)12-13-11(17-14-12)9-15(3)7-5-4-6-8-16/h10,16H,4-9H2,1-3H3.
What are the key properties of 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol?
5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pentan-1-ol is sourced from PubChem (CID 107204044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).