N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine

C16H18N4O — CID 56906282

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccccc2)no1)Cc1nccn1C
InChIInChI=1S/C16H18N4O/c1-19(12-16-17-8-9-20(16)2)11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyPUQKOKXKOUBLBD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine (PubChem CID 56906282) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
PubChem CID56906282
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine
SMILESCN(Cc1cc(-c2ccccc2)no1)Cc1nccn1C
InChIInChI=1S/C16H18N4O/c1-19(12-16-17-8-9-20(16)2)11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3
InChIKeyPUQKOKXKOUBLBD-UHFFFAOYSA-N
XLogP2.71
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine (CID 56906282) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine is CN(Cc1cc(-c2ccccc2)no1)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
The InChIKey is PUQKOKXKOUBLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19(12-16-17-8-9-20(16)2)11-14-10-15(18-21-14)13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine has a molecular weight of 282.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(3-phenyl-1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 56906282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).