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

C19H21NO2 — CID 46888553

IUPAC2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(CCc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-19-9-5-4-8-16(19)11-12-17-14-18(22-20-17)13-10-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
InChIKeyJLQNOXGHAYHLFK-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.10
Rot. Bonds6

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

2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (PubChem CID 46888553) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
PubChem CID46888553
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
SMILESOc1ccccc1CCC1=NOC(CCc2ccccc2)C1
InChIInChI=1S/C19H21NO2/c21-19-9-5-4-8-16(19)11-12-17-14-18(22-20-17)13-10-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2
InChIKeyJLQNOXGHAYHLFK-UHFFFAOYSA-N
XLogP4.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The IUPAC name of 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol (CID 46888553) is 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol.
What is the SMILES notation for 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The canonical SMILES for 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is Oc1ccccc1CCC1=NOC(CCc2ccccc2)C1.
What is the InChIKey of 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
The InChIKey is JLQNOXGHAYHLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-19-9-5-4-8-16(19)11-12-17-14-18(22-20-17)13-10-15-6-2-1-3-7-15/h1-9,18,21H,10-14H2.
What are the key properties of 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol?
2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol has a molecular weight of 295.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(2-phenylethyl)-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol is sourced from PubChem (CID 46888553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).