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

C16H18N4O — CID 84591303

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H18N4O/c1-12-8-14(19-21-12)10-20(2)11-16-17-9-15(18-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,18)
InChIKeyYNIGVJQCXOHSRF-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.01
Rot. Bonds5

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

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine (PubChem CID 84591303) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine
PubChem CID84591303
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine
SMILESCc1cc(CN(C)Cc2ncc(-c3ccccc3)[nH]2)no1
InChIInChI=1S/C16H18N4O/c1-12-8-14(19-21-12)10-20(2)11-16-17-9-15(18-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,18)
InChIKeyYNIGVJQCXOHSRF-UHFFFAOYSA-N
XLogP3.01
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine (CID 84591303) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine is Cc1cc(CN(C)Cc2ncc(-c3ccccc3)[nH]2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine?
The InChIKey is YNIGVJQCXOHSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-8-14(19-21-12)10-20(2)11-16-17-9-15(18-16)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine has a molecular weight of 282.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(5-phenyl-1H-imidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 84591303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).