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

C23H19Cl2NO2 — CID 3454805

IUPAC5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(COc2ccccc2CC2CC(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/h1-11,13,20H,12,14-15H2
InChIKeyYUSVKVMJSSMXPT-UHFFFAOYSA-N
MW412.32 g/mol
LogP6.31
Rot. Bonds6

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

5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 3454805) has the molecular formula C23H19Cl2NO2 and a molecular weight of 412.32 g/mol. Its IUPAC name is 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID3454805
Molecular FormulaC23H19Cl2NO2
Molecular Weight412.32 g/mol
Exact Mass411.08
IUPAC Name5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1ccc(COc2ccccc2CC2CC(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/h1-11,13,20H,12,14-15H2
InChIKeyYUSVKVMJSSMXPT-UHFFFAOYSA-N
XLogP6.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-2,5-dihydro-1,2-oxazole
CID 2312831
(5S)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562209
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126118021
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 4722191
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209562
5-[(2,4-dibromophenoxy)methyl]-3-phenyl-4,5-dihydro-1,2-oxazole
CID 4970471
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 17211084
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(2-chlorophenyl)methanamine
CID 4715702
3-[(5R)-5-benzyl-4,5-dihydro-1,2-oxazol-3-yl]phenol
CID 71561964

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole (CID 3454805) is 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole is Clc1ccc(COc2ccccc2CC2CC(c3ccccc3)=NO2)c(Cl)c1.
What is the InChIKey of 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is YUSVKVMJSSMXPT-UHFFFAOYSA-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/h1-11,13,20H,12,14-15H2.
What are the key properties of 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole?
5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 412.32 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 3454805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).