3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid

C11H15N3O4 — CID 43522114

IUPAC3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C11H15N3O4/c15-10(16)2-4-13-5-7-14(8-6-13)11(17)9-1-3-12-18-9/h1,3H,2,4-8H2,(H,15,16)
InChIKeyFVOKEQBHLWTXEC-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.09
Rot. Bonds4

About 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522114) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522114
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C11H15N3O4/c15-10(16)2-4-13-5-7-14(8-6-13)11(17)9-1-3-12-18-9/h1,3H,2,4-8H2,(H,15,16)
InChIKeyFVOKEQBHLWTXEC-UHFFFAOYSA-N
XLogP-0.09
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317773
3-(4-benzoylpiperazin-1-yl)propanoic acid
CID 2050697
3-[4-(4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 2050673
3-[4-(3-chloropyridine-4-carbonyl)piperazin-1-yl]propanoic acid
CID 66462597
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
4-benzyl-1-(1,2-oxazole-5-carbonyl)piperidine-4-carboxylic acid
CID 22240981
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
3-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 43522138
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
3-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]propanoic acid
CID 107702412
1,2-oxazol-5-yl-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164760

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 43522114) is 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is FVOKEQBHLWTXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-10(16)2-4-13-5-7-14(8-6-13)11(17)9-1-3-12-18-9/h1,3H,2,4-8H2,(H,15,16).
What are the key properties of 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).