N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine

C12H15N3O2 — CID 113438737

IUPACN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1cc(C)nc(CNCc2ccno2)c1
InChIInChI=1S/C12H15N3O2/c1-9-5-12(16-2)6-10(15-9)7-13-8-11-3-4-14-17-11/h3-6,13H,7-8H2,1-2H3
InChIKeyZZZYHCFFOXXDCH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds5

About N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine

N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 113438737) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID113438737
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCOc1cc(C)nc(CNCc2ccno2)c1
InChIInChI=1S/C12H15N3O2/c1-9-5-12(16-2)6-10(15-9)7-13-8-11-3-4-14-17-11/h3-6,13H,7-8H2,1-2H3
InChIKeyZZZYHCFFOXXDCH-UHFFFAOYSA-N
XLogP1.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 113438737) is N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine is COc1cc(C)nc(CNCc2ccno2)c1.
What is the InChIKey of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is ZZZYHCFFOXXDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-5-12(16-2)6-10(15-9)7-13-8-11-3-4-14-17-11/h3-6,13H,7-8H2,1-2H3.
What are the key properties of N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 233.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 113438737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).