3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid

C11H13N3O3 — CID 65196994

IUPAC3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nn(C)cc1-c1cnc(CCC(=O)O)o1
InChIInChI=1S/C11H13N3O3/c1-7-8(6-14(2)13-7)9-5-12-10(17-9)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLHONGZMLDAQGNP-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.40
Rot. Bonds4

About 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid

3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid (PubChem CID 65196994) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
PubChem CID65196994
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
SMILESCc1nn(C)cc1-c1cnc(CCC(=O)O)o1
InChIInChI=1S/C11H13N3O3/c1-7-8(6-14(2)13-7)9-5-12-10(17-9)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16)
InChIKeyLHONGZMLDAQGNP-UHFFFAOYSA-N
XLogP1.40
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazole
CID 137957620
5-(1,5-Dimethylpyrazol-4-yl)-1,3-oxazole
CID 139378751
5-(5-Tert-butyl-1-methylpyrazol-4-yl)-1,3-oxazole
CID 155787949
3-[5-(1-Methylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 61793137
3-[5-(1-Ethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 61793327
3-[5-(1,3,5-Trimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 61892323
3-[5-(1-Ethyl-3,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid
CID 61892324
3-[5-(1,5-Dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178649
1-[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 65178987
1-[5-(1,5-Dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179118
2-[5-(1,5-Dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 65179242
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179272

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid (CID 65196994) is 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid is Cc1nn(C)cc1-c1cnc(CCC(=O)O)o1.
What is the InChIKey of 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid?
The InChIKey is LHONGZMLDAQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-7-8(6-14(2)13-7)9-5-12-10(17-9)3-4-11(15)16/h5-6H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid?
3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]propanoic acid is sourced from PubChem (CID 65196994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).