2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid

C11H17N3O3 — CID 62312277

IUPAC2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C11H17N3O3/c1-9(11(15)16)14-4-2-13(3-5-14)7-10-6-12-17-8-10/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyDHSIDEKPLLGYRV-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.27
Rot. Bonds4

About 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid

2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid (PubChem CID 62312277) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid
PubChem CID62312277
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(Cc2cnoc2)CC1
InChIInChI=1S/C11H17N3O3/c1-9(11(15)16)14-4-2-13(3-5-14)7-10-6-12-17-8-10/h6,8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyDHSIDEKPLLGYRV-UHFFFAOYSA-N
XLogP0.27
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(furan-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 65062356
2-[4-[(4-ethylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310090
methyl 3-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoate
CID 78982340
1-(1,2-oxazol-4-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 63127117
2-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propanoic acid
CID 62310279
4-[(4-methylpiperidin-1-yl)methyl]-1,2-oxazole
CID 130627037
2-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]propanoic acid
CID 62310484
2-[4-[(4-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 65062599
2-[4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperazin-1-yl]propanoic acid
CID 66189160
(2S)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanoic acid
CID 129415016
2-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 83094609
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperazin-1-yl]propanoic acid
CID 79158647

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid (CID 62312277) is 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(Cc2cnoc2)CC1.
What is the InChIKey of 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid?
The InChIKey is DHSIDEKPLLGYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-9(11(15)16)14-4-2-13(3-5-14)7-10-6-12-17-8-10/h6,8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid?
2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazol-4-ylmethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62312277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).