[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine

C11H13ClN2O — CID 115062097

IUPAC[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,10H,5-7,13H2
InChIKeyDFHZCBMTGNPLEP-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.64
Rot. Bonds3

About [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine

[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (PubChem CID 115062097) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
PubChem CID115062097
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
SMILESNCC1=NC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,10H,5-7,13H2
InChIKeyDFHZCBMTGNPLEP-UHFFFAOYSA-N
XLogP1.64
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine (CID 115062097) is [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is NCC1=NC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
The InChIKey is DFHZCBMTGNPLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c12-9-3-1-8(2-4-9)5-10-7-15-11(6-13)14-10/h1-4,10H,5-7,13H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine?
[4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine has a molecular weight of 224.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 115062097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).