N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine

C18H18N4O — CID 167223981

IUPACN-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
SMILES[H]/N=C/c1ncc(-c2c(C)noc2C)cc1NCc1ccccc1
InChIInChI=1S/C18H18N4O/c1-12-18(13(2)23-22-12)15-8-16(17(9-19)21-11-15)20-10-14-6-4-3-5-7-14/h3-9,11,19-20H,10H2,1-2H3/b19-9+
InChIKeyNVGOTBIAROBCQG-DJKKODMXSA-N
MW306.37 g/mol
LogP3.96
Rot. Bonds5

About N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine

N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine (PubChem CID 167223981) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
PubChem CID167223981
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine
SMILES[H]/N=C/c1ncc(-c2c(C)noc2C)cc1NCc1ccccc1
InChIInChI=1S/C18H18N4O/c1-12-18(13(2)23-22-12)15-8-16(17(9-19)21-11-15)20-10-14-6-4-3-5-7-14/h3-9,11,19-20H,10H2,1-2H3/b19-9+
InChIKeyNVGOTBIAROBCQG-DJKKODMXSA-N
XLogP3.96
TPSA74.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine?
The IUPAC name of N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine (CID 167223981) is N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine.
What is the SMILES notation for N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine?
The canonical SMILES for N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine is [H]/N=C/c1ncc(-c2c(C)noc2C)cc1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine?
The InChIKey is NVGOTBIAROBCQG-DJKKODMXSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-18(13(2)23-22-12)15-8-16(17(9-19)21-11-15)20-10-14-6-4-3-5-7-14/h3-9,11,19-20H,10H2,1-2H3/b19-9+.
What are the key properties of N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine?
N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine has a molecular weight of 306.37 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methanimidoylpyridin-3-amine is sourced from PubChem (CID 167223981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).