2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid

C14H13N3O3 — CID 71247346

IUPAC2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
SMILESCc1noc(C)c1-c1nc2ccc(CC(=O)O)cc2[nH]1
InChIInChI=1S/C14H13N3O3/c1-7-13(8(2)20-17-7)14-15-10-4-3-9(6-12(18)19)5-11(10)16-14/h3-5H,6H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyWYPSGAJZIXDGST-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.46
Rot. Bonds3

About 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid (PubChem CID 71247346) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
PubChem CID71247346
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid
SMILESCc1noc(C)c1-c1nc2ccc(CC(=O)O)cc2[nH]1
InChIInChI=1S/C14H13N3O3/c1-7-13(8(2)20-17-7)14-15-10-4-3-9(6-12(18)19)5-11(10)16-14/h3-5H,6H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyWYPSGAJZIXDGST-UHFFFAOYSA-N
XLogP2.46
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid (CID 71247346) is 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid is Cc1noc(C)c1-c1nc2ccc(CC(=O)O)cc2[nH]1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid?
The InChIKey is WYPSGAJZIXDGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-7-13(8(2)20-17-7)14-15-10-4-3-9(6-12(18)19)5-11(10)16-14/h3-5H,6H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid?
2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid has a molecular weight of 271.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 71247346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).