2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid

C12H18N2O3 — CID 115085641

IUPAC2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCCN1CCCC(c2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C12H18N2O3/c1-2-14-5-3-4-9(8-14)12-13-7-10(17-12)6-11(15)16/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyHKLSAVVOUZQARZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.50
Rot. Bonds4

About 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid

2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid (PubChem CID 115085641) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
PubChem CID115085641
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid
SMILESCCN1CCCC(c2ncc(CC(=O)O)o2)C1
InChIInChI=1S/C12H18N2O3/c1-2-14-5-3-4-9(8-14)12-13-7-10(17-12)6-11(15)16/h7,9H,2-6,8H2,1H3,(H,15,16)
InChIKeyHKLSAVVOUZQARZ-UHFFFAOYSA-N
XLogP1.50
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-3-yl)-1,3-oxazole-5-carboxylic acid
CID 115085637
2-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085042
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]acetic acid
CID 115085339
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
2-[2-(thiolan-3-yl)-1,3-oxazol-5-yl]acetic acid
CID 115028315
3-[2-(1-ethylpiperidin-3-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115090461
2-[2-[(1S,2R)-2-methylcyclopropyl]-1,3-oxazol-5-yl]acetic acid
CID 125451996
4-[[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 110120079
2-(2-pyrrolidin-2-yl-1,3-oxazol-5-yl)acetic acid
CID 115085791
1-[(3R)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-piperidin-1-ylethanone
CID 124946373
3-[[(3S)-3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 124970918

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid (CID 115085641) is 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid is CCN1CCCC(c2ncc(CC(=O)O)o2)C1.
What is the InChIKey of 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
The InChIKey is HKLSAVVOUZQARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-14-5-3-4-9(8-14)12-13-7-10(17-12)6-11(15)16/h7,9H,2-6,8H2,1H3,(H,15,16).
What are the key properties of 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid?
2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]acetic acid is sourced from PubChem (CID 115085641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).