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

C13H19N3O4 — CID 43522115

IUPAC3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1noc(C)c1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c1-9-12(10(2)20-14-9)13(19)16-7-5-15(6-8-16)4-3-11(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyPMODHEHGXFAXSO-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.52
Rot. Bonds4

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

3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 43522115) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID43522115
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
SMILESCc1noc(C)c1C(=O)N1CCN(CCC(=O)O)CC1
InChIInChI=1S/C13H19N3O4/c1-9-12(10(2)20-14-9)13(19)16-7-5-15(6-8-16)4-3-11(17)18/h3-8H2,1-2H3,(H,17,18)
InChIKeyPMODHEHGXFAXSO-UHFFFAOYSA-N
XLogP0.52
TPSA86.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134014888
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
5-[[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]methyl]thiophene-2-carboxylic acid
CID 135236106
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 33324195
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(4-propyl-1,4-diazepan-1-yl)methanone
CID 56823018
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95759484
2-[4-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62824282
(3,5-dimethyl-1,2-oxazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1247460
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125770
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336413
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid (CID 43522115) is 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid is Cc1noc(C)c1C(=O)N1CCN(CCC(=O)O)CC1.
What is the InChIKey of 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is PMODHEHGXFAXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9-12(10(2)20-14-9)13(19)16-7-5-15(6-8-16)4-3-11(17)18/h3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).