5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid

C11H13N3O3 — CID 23006081

IUPAC5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nn(C)c(C)c1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)14(3)12-6)4-8-5-10(11(15)16)13-17-8/h5H,4H2,1-3H3,(H,15,16)
InChIKeyUFCWNCRZHUDKBE-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.31
Rot. Bonds3

About 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 23006081) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID23006081
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1nn(C)c(C)c1Cc1cc(C(=O)O)no1
InChIInChI=1S/C11H13N3O3/c1-6-9(7(2)14(3)12-6)4-8-5-10(11(15)16)13-17-8/h5H,4H2,1-3H3,(H,15,16)
InChIKeyUFCWNCRZHUDKBE-UHFFFAOYSA-N
XLogP1.31
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
5-[[hydroxy(methyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 131122642
3-(3-methoxy-1,2-oxazol-5-yl)-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]propanamide
CID 71709865
3-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 86930017
1-(2-methylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105100408
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
2-methyl-5-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylic acid
CID 119226411
5-methyl-4-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]furan-2-carboxylic acid
CID 103255390
5-[(E)-2-methyl-3-methylsulfanylprop-2-enyl]-1,2-oxazole-3-carboxylic acid
CID 134390263
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42394007
4-[[cyclohexyl-[2-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]furan-3-yl]methyl]amino]benzoic acid
CID 68514357

Frequently Asked Questions

What is the IUPAC name of 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 23006081) is 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid is Cc1nn(C)c(C)c1Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UFCWNCRZHUDKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-9(7(2)14(3)12-6)4-8-5-10(11(15)16)13-17-8/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 23006081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).