N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

C13H17N3O — CID 62308041

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2nc(C)c(C)o2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-4-6-12(15-9)7-14-8-13-16-10(2)11(3)17-13/h4-6,14H,7-8H2,1-3H3
InChIKeyCPJQOCALWHDVPW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.28
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (PubChem CID 62308041) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
PubChem CID62308041
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
SMILESCc1cccc(CNCc2nc(C)c(C)o2)n1
InChIInChI=1S/C13H17N3O/c1-9-5-4-6-12(15-9)7-14-8-13-16-10(2)11(3)17-13/h4-6,14H,7-8H2,1-3H3
InChIKeyCPJQOCALWHDVPW-UHFFFAOYSA-N
XLogP2.28
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54882211
1-(1,3-benzodioxol-4-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 61211714
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
1-(2-ethylphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 62390547
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
1-(4,5-dibromofuran-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106370288
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,3,6-trichlorophenyl)methanamine
CID 102673162
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-quinolin-4-ylmethanamine
CID 102673074
N-[(3,5-difluorophenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 115767649

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine (CID 62308041) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine is Cc1cccc(CNCc2nc(C)c(C)o2)n1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
The InChIKey is CPJQOCALWHDVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-5-4-6-12(15-9)7-14-8-13-16-10(2)11(3)17-13/h4-6,14H,7-8H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(6-methyl-2-pyridinyl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.28, 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-(6-methyl-2-pyridinyl)methanamine is sourced from PubChem (CID 62308041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).