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

C11H15N3O4 — CID 62317773

IUPAC2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C11H15N3O4/c1-8(11(16)17)13-4-6-14(7-5-13)10(15)9-2-3-12-18-9/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyORFTUTWEOOOAKV-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.09
Rot. Bonds3

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

2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 62317773) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID62317773
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C11H15N3O4/c1-8(11(16)17)13-4-6-14(7-5-13)10(15)9-2-3-12-18-9/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyORFTUTWEOOOAKV-UHFFFAOYSA-N
XLogP-0.09
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

3-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 43522114
2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]propanoic acid
CID 62317788
2-[4-(3-bromopyridine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 107517070
[4-(4-methoxyphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110693625
1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317771
1,2-oxazol-5-yl-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 171156342
2-[4-(6-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317762
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
[4-(2-tert-butylphenyl)piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 66751030
2-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]propanoic acid
CID 62317076

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid (CID 62317773) is 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is ORFTUTWEOOOAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(11(16)17)13-4-6-14(7-5-13)10(15)9-2-3-12-18-9/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid?
2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-oxazole-5-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).