2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C21H25NO2 — CID 18689703

IUPAC2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cccc(CCc2cc(C)ccc2C2=NC(C)(C)CO2)c1
InChIInChI=1S/C21H25NO2/c1-15-8-11-19(20-22-21(2,3)14-24-20)17(12-15)10-9-16-6-5-7-18(13-16)23-4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyYXPGZZJLZWLUQG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 18689703) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID18689703
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1cccc(CCc2cc(C)ccc2C2=NC(C)(C)CO2)c1
InChIInChI=1S/C21H25NO2/c1-15-8-11-19(20-22-21(2,3)14-24-20)17(12-15)10-9-16-6-5-7-18(13-16)23-4/h5-8,11-13H,9-10,14H2,1-4H3
InChIKeyYXPGZZJLZWLUQG-UHFFFAOYSA-N
XLogP4.34
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 18689703) is 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is COc1cccc(CCc2cc(C)ccc2C2=NC(C)(C)CO2)c1.
What is the InChIKey of 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is YXPGZZJLZWLUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-15-8-11-19(20-22-21(2,3)14-24-20)17(12-15)10-9-16-6-5-7-18(13-16)23-4/h5-8,11-13H,9-10,14H2,1-4H3.
What are the key properties of 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 323.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3-methoxyphenyl)ethyl]-4-methylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 18689703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).