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

C20H17N3O2 — CID 56680528

IUPAC2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1
InChIInChI=1S/C20H17N3O2/c1-24-18-9-5-8-16(10-18)20-22-17(13-25-20)11-23-12-19(21-14-23)15-6-3-2-4-7-15/h2-10,12-14H,11H2,1H3
InChIKeyRQVRDYPWALNIMW-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.26
Rot. Bonds5

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

2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56680528) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56680528
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1
InChIInChI=1S/C20H17N3O2/c1-24-18-9-5-8-16(10-18)20-22-17(13-25-20)11-23-12-19(21-14-23)15-6-3-2-4-7-15/h2-10,12-14H,11H2,1H3
InChIKeyRQVRDYPWALNIMW-UHFFFAOYSA-N
XLogP4.26
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole (CID 56680528) is 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is COc1cccc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is RQVRDYPWALNIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-24-18-9-5-8-16(10-18)20-22-17(13-25-20)11-23-12-19(21-14-23)15-6-3-2-4-7-15/h2-10,12-14H,11H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 331.38 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[(4-phenylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56680528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).