3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid

C8H7N3O3 — CID 3161123

IUPAC3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)cn1
InChIInChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)6-2-7(8(12)13)14-10-6/h2-4H,1H3,(H,12,13)
InChIKeyDDSMWOCNQXPFLN-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.77
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid

3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 3161123) has the molecular formula C8H7N3O3 and a molecular weight of 193.16 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID3161123
Molecular FormulaC8H7N3O3
Molecular Weight193.16 g/mol
Exact Mass193.05
IUPAC Name3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)cn1
InChIInChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)6-2-7(8(12)13)14-10-6/h2-4H,1H3,(H,12,13)
InChIKeyDDSMWOCNQXPFLN-UHFFFAOYSA-N
XLogP0.77
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid (CID 3161123) is 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is Cn1cc(-c2cc(C(=O)O)on2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DDSMWOCNQXPFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3/c1-11-4-5(3-9-11)6-2-7(8(12)13)14-10-6/h2-4H,1H3,(H,12,13).
What are the key properties of 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 193.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 3161123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).