N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine

C18H19N3O — CID 56662535

IUPACN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O/c1-21(12-10-16-9-5-6-11-19-16)13-17-14-22-18(20-17)15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3
InChIKeyUZODSQLAMAWVLY-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.41
Rot. Bonds6

About N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine

N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 56662535) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID56662535
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCN(CCc1ccccn1)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C18H19N3O/c1-21(12-10-16-9-5-6-11-19-16)13-17-14-22-18(20-17)15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3
InChIKeyUZODSQLAMAWVLY-UHFFFAOYSA-N
XLogP3.41
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine (CID 56662535) is N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine is CN(CCc1ccccn1)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is UZODSQLAMAWVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-21(12-10-16-9-5-6-11-19-16)13-17-14-22-18(20-17)15-7-3-2-4-8-15/h2-9,11,14H,10,12-13H2,1H3.
What are the key properties of N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine?
N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 56662535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).