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

C12H23N3O2 — CID 111488740

IUPAC4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol
SMILESCC(O)CCN(C)C(C)c1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)10(4)15(5)7-6-9(3)16/h8-10,16H,6-7H2,1-5H3
InChIKeyRGGBQPQBWCNTHU-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.96
Rot. Bonds6

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

4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol (PubChem CID 111488740) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol
PubChem CID111488740
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol
SMILESCC(O)CCN(C)C(C)c1nc(C(C)C)no1
InChIInChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)10(4)15(5)7-6-9(3)16/h8-10,16H,6-7H2,1-5H3
InChIKeyRGGBQPQBWCNTHU-UHFFFAOYSA-N
XLogP1.96
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol?
The IUPAC name of 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol (CID 111488740) is 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol.
What is the SMILES notation for 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol?
The canonical SMILES for 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol is CC(O)CCN(C)C(C)c1nc(C(C)C)no1.
What is the InChIKey of 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol?
The InChIKey is RGGBQPQBWCNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)11-13-12(17-14-11)10(4)15(5)7-6-9(3)16/h8-10,16H,6-7H2,1-5H3.
What are the key properties of 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol?
4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]butan-2-ol is sourced from PubChem (CID 111488740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).