2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid

C12H8N2O4 — CID 81357611

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1cc(-c2nc3ccc(C(=O)O)cc3o2)on1
InChIInChI=1S/C12H8N2O4/c1-6-4-10(18-14-6)11-13-8-3-2-7(12(15)16)5-9(8)17-11/h2-5H,1H3,(H,15,16)
InChIKeyOPOCPVVEOROIDX-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.49
Rot. Bonds2

About 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid

2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid (PubChem CID 81357611) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
PubChem CID81357611
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid
SMILESCc1cc(-c2nc3ccc(C(=O)O)cc3o2)on1
InChIInChI=1S/C12H8N2O4/c1-6-4-10(18-14-6)11-13-8-3-2-7(12(15)16)5-9(8)17-11/h2-5H,1H3,(H,15,16)
InChIKeyOPOCPVVEOROIDX-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

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357317
2-(2-methylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81357419
2-(4,5-dibromothiophen-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 81357319
2-(1-methylpyrrol-3-yl)-1,3-benzoxazole-6-carboxylic acid
CID 138543177
2-[5-(dimethylcarbamoyl)-1-benzofuran-2-yl]-1,3-benzoxazole-6-carboxylic acid
CID 177195284
2-(4-aminophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 82363794
2-(4-ethylphenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358248
2-(2-bromo-6-fluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 114561381
4-tert-butyl-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114372944
2-(3-amino-7-methyl-1-benzofuran-2-yl)-1,3-benzoxazole-6-carboxylic acid
CID 177195263
2-(4-bromo-2,6-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 81339927
2-(3,4-difluorophenyl)-1,3-benzoxazole-6-carboxylic acid
CID 59626001

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid (CID 81357611) is 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid is Cc1cc(-c2nc3ccc(C(=O)O)cc3o2)on1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid?
The InChIKey is OPOCPVVEOROIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c1-6-4-10(18-14-6)11-13-8-3-2-7(12(15)16)5-9(8)17-11/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid?
2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-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 2-(3-methyl-1,2-oxazol-5-yl)-1,3-benzoxazole-6-carboxylic acid is sourced from PubChem (CID 81357611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).