2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole

C18H23N3O — CID 70461573

IUPAC2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc(CC)c1-n1cncc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H23N3O/c1-5-13-8-7-9-14(6-2)16(13)21-12-19-10-15(21)17-20-18(3,4)11-22-17/h7-10,12H,5-6,11H2,1-4H3
InChIKeyXEXYCWXVPQJCIP-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.55
Rot. Bonds4

About 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole

2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 70461573) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID70461573
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCCc1cccc(CC)c1-n1cncc1C1=NC(C)(C)CO1
InChIInChI=1S/C18H23N3O/c1-5-13-8-7-9-14(6-2)16(13)21-12-19-10-15(21)17-20-18(3,4)11-22-17/h7-10,12H,5-6,11H2,1-4H3
InChIKeyXEXYCWXVPQJCIP-UHFFFAOYSA-N
XLogP3.55
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole (CID 70461573) is 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole is CCc1cccc(CC)c1-n1cncc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is XEXYCWXVPQJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-5-13-8-7-9-14(6-2)16(13)21-12-19-10-15(21)17-20-18(3,4)11-22-17/h7-10,12H,5-6,11H2,1-4H3.
What are the key properties of 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole?
2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 297.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-diethylphenyl)imidazol-4-yl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 70461573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).