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

C11H16N4O — CID 78994153

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1nc[nH]c1C
InChIInChI=1S/C11H16N4O/c1-7-10(9(3)16-15-7)4-12-5-11-8(2)13-6-14-11/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyGFJKXLOAHNMANW-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.61
Rot. Bonds4

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (PubChem CID 78994153) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
PubChem CID78994153
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine
SMILESCc1noc(C)c1CNCc1nc[nH]c1C
InChIInChI=1S/C11H16N4O/c1-7-10(9(3)16-15-7)4-12-5-11-8(2)13-6-14-11/h6,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyGFJKXLOAHNMANW-UHFFFAOYSA-N
XLogP1.61
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine (CID 78994153) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-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-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is Cc1noc(C)c1CNCc1nc[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
The InChIKey is GFJKXLOAHNMANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-10(9(3)16-15-7)4-12-5-11-8(2)13-6-14-11/h6,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine has a molecular weight of 220.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 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-[(5-methyl-1H-imidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 78994153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).