N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

C13H16FN3O — CID 106370432

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cn2)oc1C
InChIInChI=1S/C13H16FN3O/c1-8-10(3)18-13(17-8)7-15-9(2)12-5-4-11(14)6-16-12/h4-6,9,15H,7H2,1-3H3
InChIKeyDDLDVESHZZKKQX-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.68
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 106370432) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID106370432
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCc1nc(CNC(C)c2ccc(F)cn2)oc1C
InChIInChI=1S/C13H16FN3O/c1-8-10(3)18-13(17-8)7-15-9(2)12-5-4-11(14)6-16-12/h4-6,9,15H,7H2,1-3H3
InChIKeyDDLDVESHZZKKQX-UHFFFAOYSA-N
XLogP2.68
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 106370432) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is Cc1nc(CNC(C)c2ccc(F)cn2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is DDLDVESHZZKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8-10(3)18-13(17-8)7-15-9(2)12-5-4-11(14)6-16-12/h4-6,9,15H,7H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 106370432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).