2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid

C15H13N3O3S — CID 66643592

IUPAC2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccccn2)c1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H13N3O3S/c1-9-10(5-6-13-17-8-12(22-13)15(19)20)14(18-21-9)11-4-2-3-7-16-11/h2-4,7-8H,5-6H2,1H3,(H,19,20)
InChIKeyRCUUAWMNSQAPRG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.98
Rot. Bonds5

About 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 66643592) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID66643592
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1onc(-c2ccccn2)c1CCc1ncc(C(=O)O)s1
InChIInChI=1S/C15H13N3O3S/c1-9-10(5-6-13-17-8-12(22-13)15(19)20)14(18-21-9)11-4-2-3-7-16-11/h2-4,7-8H,5-6H2,1H3,(H,19,20)
InChIKeyRCUUAWMNSQAPRG-UHFFFAOYSA-N
XLogP2.98
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid (CID 66643592) is 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1onc(-c2ccccn2)c1CCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RCUUAWMNSQAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-9-10(5-6-13-17-8-12(22-13)15(19)20)14(18-21-9)11-4-2-3-7-16-11/h2-4,7-8H,5-6H2,1H3,(H,19,20).
What are the key properties of 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66643592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).