4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol

C19H21NO2 — CID 42613647

IUPAC4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
SMILESOc1ccc(CC2CC(CCCc3ccccc3)=NO2)cc1
InChIInChI=1S/C19H21NO2/c21-18-11-9-16(10-12-18)13-19-14-17(20-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,19,21H,4,7-8,13-14H2
InChIKeyWKGNCMOECXFUMW-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.10
Rot. Bonds6

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

4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol (PubChem CID 42613647) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
PubChem CID42613647
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
SMILESOc1ccc(CC2CC(CCCc3ccccc3)=NO2)cc1
InChIInChI=1S/C19H21NO2/c21-18-11-9-16(10-12-18)13-19-14-17(20-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,19,21H,4,7-8,13-14H2
InChIKeyWKGNCMOECXFUMW-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 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol (CID 42613647) is 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol is Oc1ccc(CC2CC(CCCc3ccccc3)=NO2)cc1.
What is the InChIKey of 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol?
The InChIKey is WKGNCMOECXFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c21-18-11-9-16(10-12-18)13-19-14-17(20-22-19)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,19,21H,4,7-8,13-14H2.
What are the key properties of 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol?
4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]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 4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol is sourced from PubChem (CID 42613647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).