1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

C12H21N3O2 — CID 115078118

IUPAC1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)15-6-4-5-10(15)7-11-13-12(9(3)16)14-17-11/h8-10,16H,4-7H2,1-3H3
InChIKeyMFXWVYFFUYVBDN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds4

About 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol

1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115078118) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115078118
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)15-6-4-5-10(15)7-11-13-12(9(3)16)14-17-11/h8-10,16H,4-7H2,1-3H3
InChIKeyMFXWVYFFUYVBDN-UHFFFAOYSA-N
XLogP1.54
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 115078118) is 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(CC2CCCN2C(C)C)n1.
What is the InChIKey of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is MFXWVYFFUYVBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)15-6-4-5-10(15)7-11-13-12(9(3)16)14-17-11/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115078118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).