2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole

C16H17N3O2 — CID 56665945

IUPAC2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cnc(C)c3)co2)c1
InChIInChI=1S/C16H17N3O2/c1-3-20-15-6-4-5-13(7-15)16-18-14(10-21-16)9-19-8-12(2)17-11-19/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDSGIMDXEFCIBHD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.29
Rot. Bonds5

About 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole

2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56665945) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
PubChem CID56665945
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole
SMILESCCOc1cccc(-c2nc(Cn3cnc(C)c3)co2)c1
InChIInChI=1S/C16H17N3O2/c1-3-20-15-6-4-5-13(7-15)16-18-14(10-21-16)9-19-8-12(2)17-11-19/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDSGIMDXEFCIBHD-UHFFFAOYSA-N
XLogP3.29
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole (CID 56665945) is 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is CCOc1cccc(-c2nc(Cn3cnc(C)c3)co2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is DSGIMDXEFCIBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-20-15-6-4-5-13(7-15)16-18-14(10-21-16)9-19-8-12(2)17-11-19/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole?
2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 283.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-[(4-methylimidazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56665945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).