2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid

C17H16N2O3S — CID 71579825

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1noc(C)c1Cc1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C17H16N2O3S/c1-10-13(11(2)22-19-10)8-15-18-17(12-6-4-3-5-7-12)14(23-15)9-16(20)21/h3-7H,8-9H2,1-2H3,(H,20,21)
InChIKeyZUIGFMYAQXXGIH-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.63
Rot. Bonds5

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 71579825) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
PubChem CID71579825
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid
SMILESCc1noc(C)c1Cc1nc(-c2ccccc2)c(CC(=O)O)s1
InChIInChI=1S/C17H16N2O3S/c1-10-13(11(2)22-19-10)8-15-18-17(12-6-4-3-5-7-12)14(23-15)9-16(20)21/h3-7H,8-9H2,1-2H3,(H,20,21)
InChIKeyZUIGFMYAQXXGIH-UHFFFAOYSA-N
XLogP3.63
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid (CID 71579825) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is Cc1noc(C)c1Cc1nc(-c2ccccc2)c(CC(=O)O)s1.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZUIGFMYAQXXGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-13(11(2)22-19-10)8-15-18-17(12-6-4-3-5-7-12)14(23-15)9-16(20)21/h3-7H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 328.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 71579825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).