[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine

C15H20N4O — CID 68863754

IUPAC[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine
SMILESCN1CCN=C1c1ccc(C2=NOC(C)(CN)C2)cc1
InChIInChI=1S/C15H20N4O/c1-15(10-16)9-13(18-20-15)11-3-5-12(6-4-11)14-17-7-8-19(14)2/h3-6H,7-10,16H2,1-2H3
InChIKeyKGVORHKVBAIBAG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.22
Rot. Bonds3

About [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine

[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine (PubChem CID 68863754) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine
PubChem CID68863754
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine
SMILESCN1CCN=C1c1ccc(C2=NOC(C)(CN)C2)cc1
InChIInChI=1S/C15H20N4O/c1-15(10-16)9-13(18-20-15)11-3-5-12(6-4-11)14-17-7-8-19(14)2/h3-6H,7-10,16H2,1-2H3
InChIKeyKGVORHKVBAIBAG-UHFFFAOYSA-N
XLogP1.22
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine (CID 68863754) is [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine is CN1CCN=C1c1ccc(C2=NOC(C)(CN)C2)cc1.
What is the InChIKey of [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine?
The InChIKey is KGVORHKVBAIBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-15(10-16)9-13(18-20-15)11-3-5-12(6-4-11)14-17-7-8-19(14)2/h3-6H,7-10,16H2,1-2H3.
What are the key properties of [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine?
[5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4H-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 68863754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).