(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole

C23H19Cl2NO2 — CID 2312831

IUPAC(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(COc2ccccc2C[C@@H]2C=C(c3ccccc3)NO2)c(Cl)c1
InChIInChI=1S/C23H19Cl2NO2/c24-19-11-10-18(21(25)13-19)15-27-23-9-5-4-8-17(23)12-20-14-22(26-28-20)16-6-2-1-3-7-16/h1-11,13-14,20,26H,12,15H2/t20-/m1/s1
InChIKeyLHSQALDONVZQKJ-HXUWFJFHSA-N
MW412.32 g/mol
LogP6.06
Rot. Bonds6

About (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole

(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole (PubChem CID 2312831) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole
PubChem CID2312831
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(COc2ccccc2C[C@@H]2C=C(c3ccccc3)NO2)c(Cl)c1
InChIInChI=1S/C23H19Cl2NO2/c24-19-11-10-18(21(25)13-19)15-27-23-9-5-4-8-17(23)12-20-14-22(26-28-20)16-6-2-1-3-7-16/h1-11,13-14,20,26H,12,15H2/t20-/m1/s1
InChIKeyLHSQALDONVZQKJ-HXUWFJFHSA-N
XLogP6.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole (CID 2312831) is (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole is Clc1ccc(COc2ccccc2C[C@@H]2C=C(c3ccccc3)NO2)c(Cl)c1.
What is the InChIKey of (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole?
The InChIKey is LHSQALDONVZQKJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19Cl2NO2/c24-19-11-10-18(21(25)13-19)15-27-23-9-5-4-8-17(23)12-20-14-22(26-28-20)16-6-2-1-3-7-16/h1-11,13-14,20,26H,12,15H2/t20-/m1/s1.
What are the key properties of (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole?
(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole has a molecular weight of 412.32 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 2312831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).