5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid

C11H13N3O4 — CID 116799953

IUPAC5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)n1cc(OCc2cc(C(=O)O)no2)cn1
InChIInChI=1S/C11H13N3O4/c1-7(2)14-5-9(4-12-14)17-6-8-3-10(11(15)16)13-18-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeySOKSRKNWLJLFHT-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.73
Rot. Bonds5

About 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 116799953) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID116799953
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(C)n1cc(OCc2cc(C(=O)O)no2)cn1
InChIInChI=1S/C11H13N3O4/c1-7(2)14-5-9(4-12-14)17-6-8-3-10(11(15)16)13-18-8/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKeySOKSRKNWLJLFHT-UHFFFAOYSA-N
XLogP1.73
TPSA90.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carbohydrazide
CID 116804129
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-carbohydrazide
CID 116804146
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-2-carbohydrazide
CID 116804127
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
2-chloro-3-(1-propan-2-ylpyrazol-4-yl)oxypropanoic acid
CID 116804052
[2-methyl-5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]furan-3-yl]methanamine
CID 116803596
2-(1-propan-2-ylpyrazol-4-yl)oxy-1,3-oxazole-4-carboxylic acid
CID 116800857
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
(E)-3-methyl-4-(1-propan-2-ylpyrazol-4-yl)oxybut-2-enoic acid
CID 116799911
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
N-propan-2-yl-2-(1-propan-2-ylpyrazol-4-yl)oxyacetamide
CID 116805305

Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid (CID 116799953) is 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid is CC(C)n1cc(OCc2cc(C(=O)O)no2)cn1.
What is the InChIKey of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is SOKSRKNWLJLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-7(2)14-5-9(4-12-14)17-6-8-3-10(11(15)16)13-18-8/h3-5,7H,6H2,1-2H3,(H,15,16).
What are the key properties of 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid?
5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpyrazol-4-yl)oxymethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 116799953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).