1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone

C20H15N3O2 — CID 23725857

IUPAC1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc(-c3conc3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-14(24)15-7-9-17(10-8-15)23-11-19(21-13-23)18-12-25-22-20(18)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyZZPORWNIDYVQMT-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.40
Rot. Bonds4

About 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone

1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone (PubChem CID 23725857) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone
PubChem CID23725857
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2cnc(-c3conc3-c3ccccc3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-14(24)15-7-9-17(10-8-15)23-11-19(21-13-23)18-12-25-22-20(18)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyZZPORWNIDYVQMT-UHFFFAOYSA-N
XLogP4.40
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-phenylimidazol-1-yl)benzoic acid
CID 58156765
1-[4-[4-[3-(4-fluorophenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]imidazol-1-yl]phenyl]ethanone
CID 67420647
[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]carbamic acid
CID 67422146
4-[4-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]imidazol-1-yl]benzoic acid
CID 67419925
5-methyl-3-phenyl-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 23725748
1-(4-tert-butylphenyl)-4-phenylimidazole
CID 174700905
4-[1-(3,4-dichlorophenyl)imidazol-4-yl]-5-methyl-3-phenyl-1,2-oxazole
CID 23725269
3-phenyl-4-(1-phenylimidazol-4-yl)-5-(trifluoromethyl)-1,2-oxazole
CID 25130449
3-phenyl-5-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]-1,2-oxazole
CID 25130781
[4-(4-phenylimidazol-1-yl)phenyl]methylcarbamic acid
CID 67529175
4-[cyclopropyl-[4-(4-phenylimidazol-1-yl)benzoyl]amino]piperidine-1-carboxylic acid
CID 90000912
N-(2-hydroxyethyl)-4-(3-phenyl-1,2-oxazol-4-yl)benzamide
CID 58833396

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone (CID 23725857) is 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone is CC(=O)c1ccc(-n2cnc(-c3conc3-c3ccccc3)c2)cc1.
What is the InChIKey of 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone?
The InChIKey is ZZPORWNIDYVQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-14(24)15-7-9-17(10-8-15)23-11-19(21-13-23)18-12-25-22-20(18)16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone?
1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone has a molecular weight of 329.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]ethanone is sourced from PubChem (CID 23725857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).