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

C27H21N3O3 — CID 67438590

IUPAC2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)C(O)c3ccccc3)cc2)cn1
InChIInChI=1S/C27H21N3O3/c1-18-24(25(29-33-18)19-8-4-2-5-9-19)23-16-30(17-28-23)22-14-12-21(13-15-22)27(32)26(31)20-10-6-3-7-11-20/h2-17,26,31H,1H3
InChIKeySSXQHIMMBJGGBU-UHFFFAOYSA-N
MW435.48 g/mol
LogP5.42
Rot. Bonds6

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

2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone (PubChem CID 67438590) has the molecular formula C27H21N3O3 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone
PubChem CID67438590
Molecular FormulaC27H21N3O3
Molecular Weight435.48 g/mol
Exact Mass435.16
IUPAC Name2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone
SMILESCc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)C(O)c3ccccc3)cc2)cn1
InChIInChI=1S/C27H21N3O3/c1-18-24(25(29-33-18)19-8-4-2-5-9-19)23-16-30(17-28-23)22-14-12-21(13-15-22)27(32)26(31)20-10-6-3-7-11-20/h2-17,26,31H,1H3
InChIKeySSXQHIMMBJGGBU-UHFFFAOYSA-N
XLogP5.42
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.48
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone?
The IUPAC name of 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone (CID 67438590) is 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone?
The canonical SMILES for 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone is Cc1onc(-c2ccccc2)c1-c1cn(-c2ccc(C(=O)C(O)c3ccccc3)cc2)cn1.
What is the InChIKey of 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone?
The InChIKey is SSXQHIMMBJGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O3/c1-18-24(25(29-33-18)19-8-4-2-5-9-19)23-16-30(17-28-23)22-14-12-21(13-15-22)27(32)26(31)20-10-6-3-7-11-20/h2-17,26,31H,1H3.
What are the key properties of 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone?
2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone has a molecular weight of 435.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)imidazol-1-yl]phenyl]-2-phenylethanone is sourced from PubChem (CID 67438590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).