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

C12H14FN3O — CID 102673150

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
SMILESCc1nc(CNCc2cncc(F)c2)oc1C
InChIInChI=1S/C12H14FN3O/c1-8-9(2)17-12(16-8)7-15-5-10-3-11(13)6-14-4-10/h3-4,6,15H,5,7H2,1-2H3
InChIKeyAWGWMCXQSYMYHS-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.12
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine (PubChem CID 102673150) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
PubChem CID102673150
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine
SMILESCc1nc(CNCc2cncc(F)c2)oc1C
InChIInChI=1S/C12H14FN3O/c1-8-9(2)17-12(16-8)7-15-5-10-3-11(13)6-14-4-10/h3-4,6,15H,5,7H2,1-2H3
InChIKeyAWGWMCXQSYMYHS-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.12
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-3-pyridinyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine (CID 102673150) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine is Cc1nc(CNCc2cncc(F)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
The InChIKey is AWGWMCXQSYMYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-8-9(2)17-12(16-8)7-15-5-10-3-11(13)6-14-4-10/h3-4,6,15H,5,7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-3-pyridinyl)methanamine has a molecular weight of 235.26 g/mol, XLogP of 2.12, 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-3-pyridinyl)methanamine is sourced from PubChem (CID 102673150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).