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

C13H15ClN2O — CID 65239880

IUPACN-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-2-7-15-8-10-9-16-17-13(10)11-5-3-4-6-12(11)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKIBCLHINONWZTA-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.49
Rot. Bonds5

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

N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine (PubChem CID 65239880) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
PubChem CID65239880
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC NameN-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnoc1-c1ccccc1Cl
InChIInChI=1S/C13H15ClN2O/c1-2-7-15-8-10-9-16-17-13(10)11-5-3-4-6-12(11)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyKIBCLHINONWZTA-UHFFFAOYSA-N
XLogP3.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-naphthalen-1-yl-1,2-oxazol-4-yl)methyl]propan-1-amine
CID 65239480
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544345
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[[2-(2-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 63109257
N-[[5-(5-bromo-2-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 82974007
N-[[5-(4-bromo-2-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 82973908
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424612
N-[[5-(3-fluorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65240105
N-methyl-1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]methanamine
CID 65239645
N-[[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745500
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
N-[[5-(2-nitrophenyl)-1,2-oxazol-4-yl]methyl]ethanamine
CID 65240155

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine (CID 65239880) is N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine is CCCNCc1cnoc1-c1ccccc1Cl.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
The InChIKey is KIBCLHINONWZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-7-15-8-10-9-16-17-13(10)11-5-3-4-6-12(11)14/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine?
N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.73 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 65239880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).