5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid

C12H8N2O4 — CID 117361908

IUPAC5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1noc2c(-c3cc(C(=O)O)no3)cccc12
InChIInChI=1S/C12H8N2O4/c1-6-7-3-2-4-8(11(7)18-13-6)10-5-9(12(15)16)14-17-10/h2-5H,1H3,(H,15,16)
InChIKeyHMWMDRJSTWYJBM-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.49
Rot. Bonds2

About 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid

5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117361908) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID117361908
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
SMILESCc1noc2c(-c3cc(C(=O)O)no3)cccc12
InChIInChI=1S/C12H8N2O4/c1-6-7-3-2-4-8(11(7)18-13-6)10-5-9(12(15)16)14-17-10/h2-5H,1H3,(H,15,16)
InChIKeyHMWMDRJSTWYJBM-UHFFFAOYSA-N
XLogP2.49
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117329819
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
5-(1-methoxynaphthalen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 176969039
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(3-methyl-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16643878
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-[2-(1-methylazetidin-3-yl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117399099
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313

Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid (CID 117361908) is 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid is Cc1noc2c(-c3cc(C(=O)O)no3)cccc12.
What is the InChIKey of 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is HMWMDRJSTWYJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c1-6-7-3-2-4-8(11(7)18-13-6)10-5-9(12(15)16)14-17-10/h2-5H,1H3,(H,15,16).
What are the key properties of 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid?
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 244.21 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117361908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).