(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole

C19H20ClNO — CID 71562329

IUPAC(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyGESZJAMUIKPUAS-SFHVURJKSA-N
MW313.83 g/mol
LogP5.20
Rot. Bonds4

About (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole

(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 71562329) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID71562329
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1
InChIInChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1
InChIKeyGESZJAMUIKPUAS-SFHVURJKSA-N
XLogP5.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole 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

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544929
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954
(5R)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562326
(5S)-3-(4-chlorophenyl)-5-[(4-ethylphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562327
(5R)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 71562330
(5S)-3-(4-chlorophenyl)-5-(naphthalen-1-ylmethyl)-4,5-dihydro-1,2-oxazole
CID 71562432

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 71562329) is (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole is CC(C)c1ccc(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GESZJAMUIKPUAS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-13(2)15-5-3-14(4-6-15)11-18-12-19(21-22-18)16-7-9-17(20)10-8-16/h3-10,13,18H,11-12H2,1-2H3/t18-/m0/s1.
What are the key properties of (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
(5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole has a molecular weight of 313.83 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 71562329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).