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

C16H15NO2 — CID 71561964

IUPAC3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
SMILESOc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1
InChIKeyCMZNXRVWBPGLJF-OAHLLOKOSA-N
MW253.30 g/mol
LogP3.13
Rot. Bonds3

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

3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol (PubChem CID 71561964) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
PubChem CID71561964
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
SMILESOc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1
InChIKeyCMZNXRVWBPGLJF-OAHLLOKOSA-N
XLogP3.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
5-benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544914
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
(5S)-5-benzyl-3-naphthalen-1-yl-4,5-dihydro-1,2-oxazole
CID 71561575
5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218
4-[2-(5-benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol;hydrochloride
CID 44585587
4-[[3-(3-phenylpropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]phenol
CID 42613647
N-benzyl-2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 135973055
[3-[3-(difluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
CID 115529333

Frequently Asked Questions

What is the IUPAC name of 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol?
The IUPAC name of 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol (CID 71561964) is 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol is Oc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1.
What is the InChIKey of 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol?
The InChIKey is CMZNXRVWBPGLJF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1.
What are the key properties of 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol?
3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol has a molecular weight of 253.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 71561964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).