N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

C17H18N2O — CID 24712731

IUPACN-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESc1ccc(CNCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H18N2O/c1-3-7-14(8-4-1)12-18-13-16-11-17(19-20-16)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2
InChIKeyAOCKTQUIKVKJKW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.97
Rot. Bonds5

About N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 24712731) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID24712731
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESc1ccc(CNCC2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C17H18N2O/c1-3-7-14(8-4-1)12-18-13-16-11-17(19-20-16)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2
InChIKeyAOCKTQUIKVKJKW-UHFFFAOYSA-N
XLogP2.97
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 24712731) is N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is c1ccc(CNCC2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is AOCKTQUIKVKJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-3-7-14(8-4-1)12-18-13-16-11-17(19-20-16)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2.
What are the key properties of N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 24712731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).