N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine

C28H34Cl2N2O2 — CID 70837888

IUPACN-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine
SMILESCN(CCOCc1ccc(Cl)c(Cl)c1)Cc1cnc([C@H](Cc2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C28H34Cl2N2O2/c1-32(14-15-33-20-22-12-13-26(29)27(30)17-22)19-24-18-31-28(34-24)25(23-10-6-3-7-11-23)16-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,17-18,23,25H,3,6-7,10-11,14-16,19-20H2,1H3/t25-/m1/s1
InChIKeyWUZCTCAWFVBAKS-RUZDIDTESA-N
MW501.50 g/mol
LogP7.54
Rot. Bonds11

About N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine

N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine (PubChem CID 70837888) has the molecular formula C28H34Cl2N2O2 and a molecular weight of 501.50 g/mol. Its IUPAC name is N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine.

Molecular Properties

Compound NameN-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine
PubChem CID70837888
Molecular FormulaC28H34Cl2N2O2
Molecular Weight501.50 g/mol
Exact Mass500.20
IUPAC NameN-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine
SMILESCN(CCOCc1ccc(Cl)c(Cl)c1)Cc1cnc([C@H](Cc2ccccc2)C2CCCCC2)o1
InChIInChI=1S/C28H34Cl2N2O2/c1-32(14-15-33-20-22-12-13-26(29)27(30)17-22)19-24-18-31-28(34-24)25(23-10-6-3-7-11-23)16-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,17-18,23,25H,3,6-7,10-11,14-16,19-20H2,1H3/t25-/m1/s1
InChIKeyWUZCTCAWFVBAKS-RUZDIDTESA-N
XLogP7.54
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.50
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine 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

N-[[2-(1-cyclopentylbut-3-enyl)-1,3-oxazol-5-yl]methyl]-N-methyl-1-phenylmethanamine;methanol;prop-1-ene
CID 143406559
1,2-dichloro-4-(1-cyclohexylethoxymethyl)benzene
CID 57027605
[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]methyl-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-dimethylazanium bromide
CID 87209278
2-[(4-chlorophenyl)methoxy]ethyl-[[2-[(R)-cyclohexyl-(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]methyl]-dimethylazanium
CID 87450720
(2S)-N-cyclohexyl-2-[[2-(3,4-dichlorophenyl)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-3-phenylpropanamide
CID 100656637
N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3,4-dichlorophenyl)methyl]-4-phenoxybutanamide
CID 100653948
cyclohexyl-[5-[3-[(3,4-dichlorophenyl)methoxy]-2-(dimethylamino)propyl]-1,3,4-oxadiazol-2-yl]-phenylmethanol
CID 69193138
[2-(2-cyclohexyl-1-phenylethyl)-1,3-oxazol-5-yl]methyl-dimethyl-[2-[(4-methylphenyl)methoxy]ethyl]azanium
CID 88971882
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 100650143
[3-[2-(cyclohexyl-hydroxy-phenylmethyl)-1,3-oxazol-5-yl]-2-[(3,4-dichlorophenyl)methoxy]propyl] methanesulfonate
CID 87209331
2-[benzyl-[2-(3,4-dichlorophenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263656
(2R)-N-cyclohexyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-3-phenylpropanamide
CID 100649500

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine?
The IUPAC name of N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine (CID 70837888) is N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine.
What is the SMILES notation for N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine?
The canonical SMILES for N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine is CN(CCOCc1ccc(Cl)c(Cl)c1)Cc1cnc([C@H](Cc2ccccc2)C2CCCCC2)o1.
What is the InChIKey of N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine?
The InChIKey is WUZCTCAWFVBAKS-RUZDIDTESA-N. The full InChI is InChI=1S/C28H34Cl2N2O2/c1-32(14-15-33-20-22-12-13-26(29)27(30)17-22)19-24-18-31-28(34-24)25(23-10-6-3-7-11-23)16-21-8-4-2-5-9-21/h2,4-5,8-9,12-13,17-18,23,25H,3,6-7,10-11,14-16,19-20H2,1H3/t25-/m1/s1.
What are the key properties of N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine?
N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine has a molecular weight of 501.50 g/mol, XLogP of 7.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1R)-1-cyclohexyl-2-phenylethyl]-1,3-oxazol-5-yl]methyl]-2-[(3,4-dichlorophenyl)methoxy]-N-methylethanamine is sourced from PubChem (CID 70837888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).