(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C16H13ClFNO — CID 146470219

IUPAC(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-8-6-11(7-9-13)15-14(10-18)19-16(20-15)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15-/m1/s1
InChIKeyURPVEXBEWBJRPV-HUUCEWRRSA-N
MW289.74 g/mol
LogP4.20
Rot. Bonds3

About (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole

(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 146470219) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID146470219
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClFNO/c17-13-8-6-11(7-9-13)15-14(10-18)19-16(20-15)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15-/m1/s1
InChIKeyURPVEXBEWBJRPV-HUUCEWRRSA-N
XLogP4.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 146470219) is (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is FC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is URPVEXBEWBJRPV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H13ClFNO/c17-13-8-6-11(7-9-13)15-14(10-18)19-16(20-15)12-4-2-1-3-5-12/h1-9,14-15H,10H2/t14-,15-/m1/s1.
What are the key properties of (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 289.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(4-chlorophenyl)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 146470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).