4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid

C20H15N3O3 — CID 67420918

IUPAC4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C20H15N3O3/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-23(12-21-17)16-9-7-15(8-10-16)20(24)25/h2-12H,1H3,(H,24,25)
InChIKeyNHSPCJVGNXJWEN-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.20
Rot. Bonds4

About 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid

4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid (PubChem CID 67420918) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid
PubChem CID67420918
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1
InChIInChI=1S/C20H15N3O3/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-23(12-21-17)16-9-7-15(8-10-16)20(24)25/h2-12H,1H3,(H,24,25)
InChIKeyNHSPCJVGNXJWEN-UHFFFAOYSA-N
XLogP4.20
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid?
The IUPAC name of 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid (CID 67420918) is 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid is Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)O)cc2)cn1.
What is the InChIKey of 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid?
The InChIKey is NHSPCJVGNXJWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-13-18(19(22-26-13)14-5-3-2-4-6-14)17-11-23(12-21-17)16-9-7-15(8-10-16)20(24)25/h2-12H,1H3,(H,24,25).
What are the key properties of 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid?
4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid has a molecular weight of 345.36 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]benzoic acid is sourced from PubChem (CID 67420918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).