4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole

C15H15N3O2 — CID 67115835

IUPAC4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nccn2-c2c(C)noc2C)cc1
InChIInChI=1S/C15H15N3O2/c1-10-14(11(2)20-17-10)18-9-8-16-15(18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyVKHICTWHLSUVBY-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.15
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole

4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 67115835) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID67115835
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1ccc(-c2nccn2-c2c(C)noc2C)cc1
InChIInChI=1S/C15H15N3O2/c1-10-14(11(2)20-17-10)18-9-8-16-15(18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3
InChIKeyVKHICTWHLSUVBY-UHFFFAOYSA-N
XLogP3.15
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole (CID 67115835) is 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole is COc1ccc(-c2nccn2-c2c(C)noc2C)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is VKHICTWHLSUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-14(11(2)20-17-10)18-9-8-16-15(18)12-4-6-13(19-3)7-5-12/h4-9H,1-3H3.
What are the key properties of 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole?
4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)imidazol-1-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 67115835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).