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

C16H17N3O — CID 42815629

IUPACN-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESc1ccc(CNCC2CC(c3ccccn3)=NO2)cc1
InChIInChI=1S/C16H17N3O/c1-2-6-13(7-3-1)11-17-12-14-10-16(19-20-14)15-8-4-5-9-18-15/h1-9,14,17H,10-12H2
InChIKeyFVBWEIOCSJCANZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.36
Rot. Bonds5

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

N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (PubChem CID 42815629) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
PubChem CID42815629
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
SMILESc1ccc(CNCC2CC(c3ccccn3)=NO2)cc1
InChIInChI=1S/C16H17N3O/c1-2-6-13(7-3-1)11-17-12-14-10-16(19-20-14)15-8-4-5-9-18-15/h1-9,14,17H,10-12H2
InChIKeyFVBWEIOCSJCANZ-UHFFFAOYSA-N
XLogP2.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine (CID 42815629) is N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is c1ccc(CNCC2CC(c3ccccn3)=NO2)cc1.
What is the InChIKey of N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
The InChIKey is FVBWEIOCSJCANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-6-13(7-3-1)11-17-12-14-10-16(19-20-14)15-8-4-5-9-18-15/h1-9,14,17H,10-12H2.
What are the key properties of N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine?
N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine has a molecular weight of 267.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 42815629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).