3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride

C22H24Cl4N2O2 — CID 175148168

IUPAC3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride
SMILESCNc1cc(-c2ccc(C(C)(C)c3cc(Cl)c(OCCCCl)c(Cl)c3)cc2)no1.Cl
InChIInChI=1S/C22H23Cl3N2O2.ClH/c1-22(2,16-11-17(24)21(18(25)12-16)28-10-4-9-23)15-7-5-14(6-8-15)19-13-20(26-3)29-27-19;/h5-8,11-13,26H,4,9-10H2,1-3H3;1H
InChIKeyHHTCEFVYHXUBHY-UHFFFAOYSA-N
MW490.26 g/mol
LogP7.45
Rot. Bonds8

About 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride

3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride (PubChem CID 175148168) has the molecular formula C22H24Cl4N2O2 and a molecular weight of 490.26 g/mol. Its IUPAC name is 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride
PubChem CID175148168
Molecular FormulaC22H24Cl4N2O2
Molecular Weight490.26 g/mol
Exact Mass488.06
IUPAC Name3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride
SMILESCNc1cc(-c2ccc(C(C)(C)c3cc(Cl)c(OCCCCl)c(Cl)c3)cc2)no1.Cl
InChIInChI=1S/C22H23Cl3N2O2.ClH/c1-22(2,16-11-17(24)21(18(25)12-16)28-10-4-9-23)15-7-5-14(6-8-15)19-13-20(26-3)29-27-19;/h5-8,11-13,26H,4,9-10H2,1-3H3;1H
InChIKeyHHTCEFVYHXUBHY-UHFFFAOYSA-N
XLogP7.45
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.26
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride 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

3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-N-[2-(4-methylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 3329237
3-(3-Chloro-5-fluoro-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 117503864
2-(2-chlorophenoxy)-N-[3-(4-methylphenyl)-5-isoxazolyl]propanamide
CID 16445402
3,5-dichloro-N-(2-chloroethyl)-4-{[5-(3-methyl-5-isoxazolyl)pentyl]oxy}benzamide
CID 20064051
3,5-dichloro-N-(3-chloropropyl)-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzamide
CID 20064083
N-[(1S)-1-[3-[3-[(2-chloro-4-phenylphenoxy)methyl]cyclobutyl]-1,2-oxazol-5-yl]ethyl]acetamide
CID 144608740
N-[[3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-1,2-oxazol-5-yl]methyl]methanesulfonamide
CID 146484282
[3-[4-[2-[3,5-Dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-1,2-oxazol-5-yl]methanamine;hydrochloride
CID 146484293
[3-[4-[2-[3,5-Dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-1,2-oxazol-5-yl]methanamine
CID 146484294
[3-[4-[2-[3,5-Dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-1,2-oxazol-5-yl]methylcarbamic acid
CID 146484382
[3-[4-[2-[3,5-Dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-1,2-oxazol-5-yl]methyl carbamate
CID 146484405
[3-[4-[(2R)-2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propyl]phenyl]-1,2-oxazol-5-yl]methanamine
CID 146485148

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride?
The IUPAC name of 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride (CID 175148168) is 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride.
What is the SMILES notation for 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride?
The canonical SMILES for 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride is CNc1cc(-c2ccc(C(C)(C)c3cc(Cl)c(OCCCCl)c(Cl)c3)cc2)no1.Cl.
What is the InChIKey of 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride?
The InChIKey is HHTCEFVYHXUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N2O2.ClH/c1-22(2,16-11-17(24)21(18(25)12-16)28-10-4-9-23)15-7-5-14(6-8-15)19-13-20(26-3)29-27-19;/h5-8,11-13,26H,4,9-10H2,1-3H3;1H.
What are the key properties of 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride?
3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride has a molecular weight of 490.26 g/mol, XLogP of 7.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[3,5-dichloro-4-(3-chloropropoxy)phenyl]propan-2-yl]phenyl]-N-methyl-1,2-oxazol-5-amine;hydrochloride is sourced from PubChem (CID 175148168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).