[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine

C11H14N2O2 — CID 105458829

IUPAC[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)=NO2)cc1
InChIInChI=1S/C11H14N2O2/c1-14-10-4-2-8(3-5-10)11-6-9(7-12)13-15-11/h2-5,11H,6-7,12H2,1H3
InChIKeyWWVNAPGWSDIAQC-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.47
Rot. Bonds3

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

[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine (PubChem CID 105458829) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
PubChem CID105458829
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine
SMILESCOc1ccc(C2CC(CN)=NO2)cc1
InChIInChI=1S/C11H14N2O2/c1-14-10-4-2-8(3-5-10)11-6-9(7-12)13-15-11/h2-5,11H,6-7,12H2,1H3
InChIKeyWWVNAPGWSDIAQC-UHFFFAOYSA-N
XLogP1.47
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine (CID 105458829) is [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine is COc1ccc(C2CC(CN)=NO2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
The InChIKey is WWVNAPGWSDIAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-10-4-2-8(3-5-10)11-6-9(7-12)13-15-11/h2-5,11H,6-7,12H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine?
[5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine has a molecular weight of 206.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 105458829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).