2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid

C12H19N3O3 — CID 115077226

IUPAC2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESCC(C)N1CCC(c2nc(CC(=O)O)no2)CC1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-5-3-9(4-6-15)12-13-10(14-18-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyIRHJKJYVVNHRKJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.28
Rot. Bonds4

About 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid

2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid (PubChem CID 115077226) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
PubChem CID115077226
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid
SMILESCC(C)N1CCC(c2nc(CC(=O)O)no2)CC1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-5-3-9(4-6-15)12-13-10(14-18-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyIRHJKJYVVNHRKJ-UHFFFAOYSA-N
XLogP1.28
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]propanoic acid
CID 115077232
2-[5-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115077063
3-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 115081706
1-[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077121
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
1-[5-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115077307
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
1-[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080074
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
2-[4-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 163344677

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid?
The IUPAC name of 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid (CID 115077226) is 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid is CC(C)N1CCC(c2nc(CC(=O)O)no2)CC1.
What is the InChIKey of 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid?
The InChIKey is IRHJKJYVVNHRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)15-5-3-9(4-6-15)12-13-10(14-18-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid?
2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]acetic acid is sourced from PubChem (CID 115077226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).