2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole

C21H19N3O2 — CID 56660033

IUPAC2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cc(C)nc3-c3ccccc3)co2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-12-24(20(22-15)16-6-4-3-5-7-16)13-18-14-26-21(23-18)17-8-10-19(25-2)11-9-17/h3-12,14H,13H2,1-2H3
InChIKeyOAZADZWYVXIDRF-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole

2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56660033) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56660033
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cc(C)nc3-c3ccccc3)co2)cc1
InChIInChI=1S/C21H19N3O2/c1-15-12-24(20(22-15)16-6-4-3-5-7-16)13-18-14-26-21(23-18)17-8-10-19(25-2)11-9-17/h3-12,14H,13H2,1-2H3
InChIKeyOAZADZWYVXIDRF-UHFFFAOYSA-N
XLogP4.57
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56660033) is 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(Cn3cc(C)nc3-c3ccccc3)co2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is OAZADZWYVXIDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15-12-24(20(22-15)16-6-4-3-5-7-16)13-18-14-26-21(23-18)17-8-10-19(25-2)11-9-17/h3-12,14H,13H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 345.40 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[(4-methyl-2-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56660033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).