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

C14H19NO2 — CID 3041217

IUPAC2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(CCC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H19NO2/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeySQAXHPBQPUHXAK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.84
Rot. Bonds4

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

2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 3041217) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID3041217
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCOc1ccc(CCC2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H19NO2/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8H,6,9-10H2,1-3H3
InChIKeySQAXHPBQPUHXAK-UHFFFAOYSA-N
XLogP2.84
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole (CID 3041217) is 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole is COc1ccc(CCC2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is SQAXHPBQPUHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2)10-17-13(15-14)9-6-11-4-7-12(16-3)8-5-11/h4-5,7-8H,6,9-10H2,1-3H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 233.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 3041217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).