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

C12H18N4O — CID 50967935

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C12H18N4O/c1-8-11(10(3)17-15-8)5-16(4)6-12-9(2)13-7-14-12/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyJVMYRPAAEUWQIU-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.95
Rot. Bonds4

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 50967935) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID50967935
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CN(C)Cc1nc[nH]c1C
InChIInChI=1S/C12H18N4O/c1-8-11(10(3)17-15-8)5-16(4)6-12-9(2)13-7-14-12/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyJVMYRPAAEUWQIU-UHFFFAOYSA-N
XLogP1.95
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 50967935) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is Cc1noc(C)c1CN(C)Cc1nc[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is JVMYRPAAEUWQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-11(10(3)17-15-8)5-16(4)6-12-9(2)13-7-14-12/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 234.30 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 50967935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).