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

C19H20ClNO — CID 59544906

IUPAC3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(CC2CC(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
InChIKeyGESZJAMUIKPUAS-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.20
Rot. Bonds4

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

3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole (PubChem CID 59544906) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
PubChem CID59544906
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole
SMILESCC(C)c1ccc(CC2CC(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
InChIKeyGESZJAMUIKPUAS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole (CID 59544906) is 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole is CC(C)c1ccc(CC2CC(c3ccc(Cl)cc3)=NO2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
The InChIKey is GESZJAMUIKPUAS-UHFFFAOYSA-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.
What are the key properties of 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole?
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 3-(4-chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59544906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).