2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol

C18H19NO2 — CID 24881747

IUPAC2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-18-9-5-4-8-15(18)10-11-16-13-17(21-19-16)12-14-6-2-1-3-7-14/h1-9,17,20H,10-13H2
InChIKeyOUZSDPWKZPHEBJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.71
Rot. Bonds5

About 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol

2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol (PubChem CID 24881747) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol
PubChem CID24881747
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(Cc2ccccc2)C1
InChIInChI=1S/C18H19NO2/c20-18-9-5-4-8-15(18)10-11-16-13-17(21-19-16)12-14-6-2-1-3-7-14/h1-9,17,20H,10-13H2
InChIKeyOUZSDPWKZPHEBJ-UHFFFAOYSA-N
XLogP3.71
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol?
The IUPAC name of 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol (CID 24881747) is 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol?
The canonical SMILES for 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol is Oc1ccccc1CCC1=NOC(Cc2ccccc2)C1.
What is the InChIKey of 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol?
The InChIKey is OUZSDPWKZPHEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18-9-5-4-8-15(18)10-11-16-13-17(21-19-16)12-14-6-2-1-3-7-14/h1-9,17,20H,10-13H2.
What are the key properties of 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol?
2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol is sourced from PubChem (CID 24881747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).