5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid

C14H16N2O3 — CID 113457320

IUPAC5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2noc(C(C)(C)C)c2C(=O)O)cn1
InChIInChI=1S/C14H16N2O3/c1-8-5-6-9(7-15-8)11-10(13(17)18)12(19-16-11)14(2,3)4/h5-7H,1-4H3,(H,17,18)
InChIKeyUGMSTLPKHRJDSV-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.04
Rot. Bonds2

About 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid

5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 113457320) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
PubChem CID113457320
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1ccc(-c2noc(C(C)(C)C)c2C(=O)O)cn1
InChIInChI=1S/C14H16N2O3/c1-8-5-6-9(7-15-8)11-10(13(17)18)12(19-16-11)14(2,3)4/h5-7H,1-4H3,(H,17,18)
InChIKeyUGMSTLPKHRJDSV-UHFFFAOYSA-N
XLogP3.04
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid (CID 113457320) is 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid is Cc1ccc(-c2noc(C(C)(C)C)c2C(=O)O)cn1.
What is the InChIKey of 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is UGMSTLPKHRJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-5-6-9(7-15-8)11-10(13(17)18)12(19-16-11)14(2,3)4/h5-7H,1-4H3,(H,17,18).
What are the key properties of 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid?
5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 113457320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).