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

C14H18N4O — CID 68863713

IUPAC[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCN1CCN=C1c1ccc(C2=NOC(CN)C2)cc1
InChIInChI=1S/C14H18N4O/c1-18-7-6-16-14(18)11-4-2-10(3-5-11)13-8-12(9-15)19-17-13/h2-5,12H,6-9,15H2,1H3
InChIKeyPISZJXCQUKRTAE-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.83
Rot. Bonds3

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

[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 68863713) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID68863713
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCN1CCN=C1c1ccc(C2=NOC(CN)C2)cc1
InChIInChI=1S/C14H18N4O/c1-18-7-6-16-14(18)11-4-2-10(3-5-11)13-8-12(9-15)19-17-13/h2-5,12H,6-9,15H2,1H3
InChIKeyPISZJXCQUKRTAE-UHFFFAOYSA-N
XLogP0.83
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 68863713) is [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine is CN1CCN=C1c1ccc(C2=NOC(CN)C2)cc1.
What is the InChIKey of [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is PISZJXCQUKRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-7-6-16-14(18)11-4-2-10(3-5-11)13-8-12(9-15)19-17-13/h2-5,12H,6-9,15H2,1H3.
What are the key properties of [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 68863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).