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

C20H14FN3O3 — CID 67420644

IUPAC4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
SMILESCc1onc(-c2cccc(F)c2)c1-c1cncn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C20H14FN3O3/c1-12-18(19(23-27-12)14-3-2-4-15(21)9-14)17-10-22-11-24(17)16-7-5-13(6-8-16)20(25)26/h2-11H,1H3,(H,25,26)
InChIKeyHGEQZRLZLFGDMP-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.34
Rot. Bonds4

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

4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid (PubChem CID 67420644) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
PubChem CID67420644
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
SMILESCc1onc(-c2cccc(F)c2)c1-c1cncn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C20H14FN3O3/c1-12-18(19(23-27-12)14-3-2-4-15(21)9-14)17-10-22-11-24(17)16-7-5-13(6-8-16)20(25)26/h2-11H,1H3,(H,25,26)
InChIKeyHGEQZRLZLFGDMP-UHFFFAOYSA-N
XLogP4.34
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid?
The IUPAC name of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid (CID 67420644) is 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid.
What is the SMILES notation for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid?
The canonical SMILES for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid is Cc1onc(-c2cccc(F)c2)c1-c1cncn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid?
The InChIKey is HGEQZRLZLFGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c1-12-18(19(23-27-12)14-3-2-4-15(21)9-14)17-10-22-11-24(17)16-7-5-13(6-8-16)20(25)26/h2-11H,1H3,(H,25,26).
What are the key properties of 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid?
4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid has a molecular weight of 363.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(3-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid is sourced from PubChem (CID 67420644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).