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

C13H17N3O3 — CID 106371845

IUPAC1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCOc1ccnc(CNCc2ncc(C)o2)c1OC
InChIInChI=1S/C13H17N3O3/c1-9-6-16-12(19-9)8-14-7-10-13(18-3)11(17-2)4-5-15-10/h4-6,14H,7-8H2,1-3H3
InChIKeyOKHKIGLUHBCRIB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.69
Rot. Bonds6

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

1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106371845) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106371845
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCOc1ccnc(CNCc2ncc(C)o2)c1OC
InChIInChI=1S/C13H17N3O3/c1-9-6-16-12(19-9)8-14-7-10-13(18-3)11(17-2)4-5-15-10/h4-6,14H,7-8H2,1-3H3
InChIKeyOKHKIGLUHBCRIB-UHFFFAOYSA-N
XLogP1.69
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(3-ethyl-2-pyridinyl)methanamine
CID 103172673
1-(3-fluoro-4-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 113252144
3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
1-(2-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172321
1-(3,4-dimethoxy-2-pyridinyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103172419
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479
1-[2-(chloromethyl)cyclopentyl]-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103173977

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106371845) is 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is COc1ccnc(CNCc2ncc(C)o2)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is OKHKIGLUHBCRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-6-16-12(19-9)8-14-7-10-13(18-3)11(17-2)4-5-15-10/h4-6,14H,7-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 263.30 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106371845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).