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

C16H14FNO — CID 71561968

IUPAC(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeySINKLGMBHNVUNA-CYBMUJFWSA-N
MW255.29 g/mol
LogP3.56
Rot. Bonds3

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

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (PubChem CID 71561968) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
PubChem CID71561968
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
SMILESFc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
InChIInChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1
InChIKeySINKLGMBHNVUNA-CYBMUJFWSA-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-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
4-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]benzonitrile
CID 71562092
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
3-[4-Fluoro-2-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71449648
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
4,5-Dihydro-5-methyl-3,4-diphenyl-5-isoxazolol
CID 10777254
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole (CID 71561968) is (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is Fc1ccccc1C1=NO[C@H](Cc2ccccc2)C1.
What is the InChIKey of (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is SINKLGMBHNVUNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole?
(5R)-5-benzyl-3-(2-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-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71561968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).