(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one

C21H20Cl2FN3O2 — CID 158613459

IUPAC(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)C[C@@H](Cc1ccc(Cl)cc1)c1noc(NCCF)n1
InChIInChI=1S/C21H20Cl2FN3O2/c22-17-5-1-14(2-6-17)11-16(20-26-21(29-27-20)25-10-9-24)13-19(28)12-15-3-7-18(23)8-4-15/h1-8,16H,9-13H2,(H,25,26,27)/t16-/m1/s1
InChIKeyHXCQEEIOPBEVMR-MRXNPFEDSA-N
MW436.31 g/mol
LogP5.29
Rot. Bonds10

About (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one

(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one (PubChem CID 158613459) has the molecular formula C21H20Cl2FN3O2 and a molecular weight of 436.31 g/mol. Its IUPAC name is (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one.

Molecular Properties

Compound Name(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one
PubChem CID158613459
Molecular FormulaC21H20Cl2FN3O2
Molecular Weight436.31 g/mol
Exact Mass435.09
IUPAC Name(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one
SMILESO=C(Cc1ccc(Cl)cc1)C[C@@H](Cc1ccc(Cl)cc1)c1noc(NCCF)n1
InChIInChI=1S/C21H20Cl2FN3O2/c22-17-5-1-14(2-6-17)11-16(20-26-21(29-27-20)25-10-9-24)13-19(28)12-15-3-7-18(23)8-4-15/h1-8,16H,9-13H2,(H,25,26,27)/t16-/m1/s1
InChIKeyHXCQEEIOPBEVMR-MRXNPFEDSA-N
XLogP5.29
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.31
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-oxopentan-2-yl]-1,2,4-oxadiazole-5-carboxylate
CID 159601294
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 59420457
1-(4-chlorophenyl)-4-(hydroxymethyl)-5-(4-methoxyphenyl)pentan-2-one
CID 162097105
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
1-(4-chlorophenyl)-3-hydroxypropan-2-one
CID 12071752
1-(4-chlorophenyl)butan-2-one
CID 39237509
1-(4-chlorophenyl)-3-[(1S)-2-(4-chlorophenyl)-1-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]urea
CID 135239063
1-(2,1,3-benzoxadiazol-5-yl)-3-(4-chlorophenyl)propan-2-one
CID 157390114
2-[(Z)-[(2R)-1-amino-5-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-oxopentylidene]amino]oxyacetic acid
CID 172932321
1-(4-chlorophenyl)-3-(4-iodophenyl)propan-2-one
CID 65477672
methyl 3-chloro-4-(4-chlorophenyl)butanoate
CID 82352044

Frequently Asked Questions

What is the IUPAC name of (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one?
The IUPAC name of (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one (CID 158613459) is (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one.
What is the SMILES notation for (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one?
The canonical SMILES for (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one is O=C(Cc1ccc(Cl)cc1)C[C@@H](Cc1ccc(Cl)cc1)c1noc(NCCF)n1.
What is the InChIKey of (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one?
The InChIKey is HXCQEEIOPBEVMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20Cl2FN3O2/c22-17-5-1-14(2-6-17)11-16(20-26-21(29-27-20)25-10-9-24)13-19(28)12-15-3-7-18(23)8-4-15/h1-8,16H,9-13H2,(H,25,26,27)/t16-/m1/s1.
What are the key properties of (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one?
(4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one has a molecular weight of 436.31 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,5-bis(4-chlorophenyl)-4-[5-(2-fluoroethylamino)-1,2,4-oxadiazol-3-yl]pentan-2-one is sourced from PubChem (CID 158613459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).