1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

C13H11N3O4 — CID 106373255

IUPAC1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCc1cnc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc32)o1
InChIInChI=1S/C13H11N3O4/c1-7-5-14-11(20-7)6-16-10-3-2-8(12(17)18)4-9(10)15-13(16)19/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMXIFUBXOUASVST-UHFFFAOYSA-N
MW273.25 g/mol
LogP1.37
Rot. Bonds3

About 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid

1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (PubChem CID 106373255) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
PubChem CID106373255
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
SMILESCc1cnc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc32)o1
InChIInChI=1S/C13H11N3O4/c1-7-5-14-11(20-7)6-16-10-3-2-8(12(17)18)4-9(10)15-13(16)19/h2-5H,6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMXIFUBXOUASVST-UHFFFAOYSA-N
XLogP1.37
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-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

6-hydroxy-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-dione
CID 106377411
1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzotriazole-5-carboxylic acid
CID 106373280
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784604
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784393
1-(2-methylsulfonylethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 54934884
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
3-[(4-methyl-3-pyridinyl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 114956383
1-[2-(methylsulfamoyl)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106336990
1-[2-(dimethylcarbamoylamino)ethyl]-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 83114218
3-[(1-methylpyrazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82873640
1-(1-ethoxy-1-oxopropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 61498727

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid (CID 106373255) is 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is Cc1cnc(Cn2c(=O)[nH]c3cc(C(=O)O)ccc32)o1.
What is the InChIKey of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
The InChIKey is MXIFUBXOUASVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-7-5-14-11(20-7)6-16-10-3-2-8(12(17)18)4-9(10)15-13(16)19/h2-5H,6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid?
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106373255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).