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

C10H19N3O2 — CID 71988953

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCCc1nc(CN(C)CCC(C)O)no1
InChIInChI=1S/C10H19N3O2/c1-4-10-11-9(12-15-10)7-13(3)6-5-8(2)14/h8,14H,4-7H2,1-3H3
InChIKeyDXNOQHWNUUAVQU-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds6

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

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol (PubChem CID 71988953) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol
PubChem CID71988953
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol
SMILESCCc1nc(CN(C)CCC(C)O)no1
InChIInChI=1S/C10H19N3O2/c1-4-10-11-9(12-15-10)7-13(3)6-5-8(2)14/h8,14H,4-7H2,1-3H3
InChIKeyDXNOQHWNUUAVQU-UHFFFAOYSA-N
XLogP0.83
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol (CID 71988953) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol is CCc1nc(CN(C)CCC(C)O)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol?
The InChIKey is DXNOQHWNUUAVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-10-11-9(12-15-10)7-13(3)6-5-8(2)14/h8,14H,4-7H2,1-3H3.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol has a molecular weight of 213.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butan-2-ol is sourced from PubChem (CID 71988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).