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

C12H19N3O3 — CID 115081799

IUPAC2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCC(C)N1CCCCC1c1noc(CC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-6-4-3-5-9(15)12-13-10(18-14-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyAWMBWGLAXFMYSX-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.63
Rot. Bonds4

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

2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 115081799) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID115081799
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESCC(C)N1CCCCC1c1noc(CC(=O)O)n1
InChIInChI=1S/C12H19N3O3/c1-8(2)15-6-4-3-5-9(15)12-13-10(18-14-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17)
InChIKeyAWMBWGLAXFMYSX-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080498
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081403
2-[3-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081792
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 124509489
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080267
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
3-[6-methyl-2-(1-propan-2-ylpiperidin-2-yl)pyrimidin-4-yl]propanoic acid
CID 110256786
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
CID 67986572
3-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]propanoic acid
CID 115082879
2-[3-(thietan-3-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 84669424

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid (CID 115081799) is 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid is CC(C)N1CCCCC1c1noc(CC(=O)O)n1.
What is the InChIKey of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is AWMBWGLAXFMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)15-6-4-3-5-9(15)12-13-10(18-14-12)7-11(16)17/h8-9H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 115081799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).