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

C11H21N3O2 — CID 115640885

IUPAC2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
SMILESCCCc1noc(CN(C)C(C)(C)CO)n1
InChIInChI=1S/C11H21N3O2/c1-5-6-9-12-10(16-13-9)7-14(4)11(2,3)8-15/h15H,5-8H2,1-4H3
InChIKeyBZGZUUYBOFMHIQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.22
Rot. Bonds6

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

2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol (PubChem CID 115640885) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
PubChem CID115640885
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol
SMILESCCCc1noc(CN(C)C(C)(C)CO)n1
InChIInChI=1S/C11H21N3O2/c1-5-6-9-12-10(16-13-9)7-14(4)11(2,3)8-15/h15H,5-8H2,1-4H3
InChIKeyBZGZUUYBOFMHIQ-UHFFFAOYSA-N
XLogP1.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-((3-Propyl-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 45250157
2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995
3-Methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 45814192
2-[4-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020395
2-[4-[(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020398
2-[4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 47020907
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-ol
CID 51076075
(1-((3-Isobutyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-4-yl)methanol
CID 51080715
1-[4-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-2-ol
CID 53541926
2-[4-[[Methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]ethanol
CID 53589139
2-(4-((3-Ethyl-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)ethan-1-ol
CID 56828240
{1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl}methanol
CID 45822598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol (CID 115640885) is 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol is CCCc1noc(CN(C)C(C)(C)CO)n1.
What is the InChIKey of 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
The InChIKey is BZGZUUYBOFMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-6-9-12-10(16-13-9)7-14(4)11(2,3)8-15/h15H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol?
2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115640885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).