N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

C13H14Cl2N2O — CID 65184232

IUPACN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H14Cl2N2O/c1-2-5-16-8-13-17-7-12(18-13)9-3-4-10(14)11(15)6-9/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyPTLGJHLWXJLDDN-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.15
Rot. Bonds5

About N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine

N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (PubChem CID 65184232) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
PubChem CID65184232
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC NameN-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1
InChIInChI=1S/C13H14Cl2N2O/c1-2-5-16-8-13-17-7-12(18-13)9-3-4-10(14)11(15)6-9/h3-4,6-7,16H,2,5,8H2,1H3
InChIKeyPTLGJHLWXJLDDN-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine 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-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine;hydrochloride
CID 3049285
N-[[5-(3-bromo-4-methylphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81488017
N-[[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65184286
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 82773781
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
N-[[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107994715
1-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 82879726
1-[5-(4-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 107994677
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
N-[[5-(2-chloro-3-fluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 81460936
3-[5-(3-chloro-4-methylphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187301
2-[5-(3-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 107994741

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine (CID 65184232) is N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is CCCNCc1ncc(-c2ccc(Cl)c(Cl)c2)o1.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
The InChIKey is PTLGJHLWXJLDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-5-16-8-13-17-7-12(18-13)9-3-4-10(14)11(15)6-9/h3-4,6-7,16H,2,5,8H2,1H3.
What are the key properties of N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine?
N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine has a molecular weight of 285.17 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65184232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).