(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole

C16H14FNO — CID 71561970

IUPAC(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1
InChIKeyBIJSWCRELIGYBA-OAHLLOKOSA-N
MW255.29 g/mol
LogP3.56
Rot. Bonds3

About (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole

(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71561970) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71561970
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1
InChIInChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1
InChIKeyBIJSWCRELIGYBA-OAHLLOKOSA-N
XLogP3.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544914
3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 71561964
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-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544919
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]cyclobutanecarboxamide
CID 46137877
N-benzyl-N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]furan-2-carboxamide
CID 42815922
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
(5R)-5-[(3,5-dimethylpyrazol-1-yl)methyl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 171679243
(5R)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 71562094
5-(iodomethyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 72741218

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 71561970) is (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1cccc(C2=NO[C@H](Cc3ccccc3)C2)c1.
What is the InChIKey of (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is BIJSWCRELIGYBA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 255.29 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).