2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol

C18H19NO2 — CID 42613643

IUPAC2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol
SMILESCC1(c2ccccc2)CC(CCc2ccccc2O)=NO1
InChIInChI=1S/C18H19NO2/c1-18(15-8-3-2-4-9-15)13-16(19-21-18)12-11-14-7-5-6-10-17(14)20/h2-10,20H,11-13H2,1H3
InChIKeyIJJNMJPRPYRNQC-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.02
Rot. Bonds4

About 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol

2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol (PubChem CID 42613643) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol
PubChem CID42613643
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol
SMILESCC1(c2ccccc2)CC(CCc2ccccc2O)=NO1
InChIInChI=1S/C18H19NO2/c1-18(15-8-3-2-4-9-15)13-16(19-21-18)12-11-14-7-5-6-10-17(14)20/h2-10,20H,11-13H2,1H3
InChIKeyIJJNMJPRPYRNQC-UHFFFAOYSA-N
XLogP4.02
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol?
The IUPAC name of 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol (CID 42613643) is 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol?
The canonical SMILES for 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol is CC1(c2ccccc2)CC(CCc2ccccc2O)=NO1.
What is the InChIKey of 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol?
The InChIKey is IJJNMJPRPYRNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-18(15-8-3-2-4-9-15)13-16(19-21-18)12-11-14-7-5-6-10-17(14)20/h2-10,20H,11-13H2,1H3.
What are the key properties of 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol?
2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)ethyl]phenol is sourced from PubChem (CID 42613643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).