5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C17H18N2O2 — CID 67060111

IUPAC5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(OCC2CN=C(N)O2)ccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-9-14(20-11-15-10-19-17(18)21-15)7-8-16(12)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H2,18,19)
InChIKeySTAJAXWMUDECKO-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.75
Rot. Bonds4

About 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67060111) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67060111
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCc1cc(OCC2CN=C(N)O2)ccc1-c1ccccc1
InChIInChI=1S/C17H18N2O2/c1-12-9-14(20-11-15-10-19-17(18)21-15)7-8-16(12)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H2,18,19)
InChIKeySTAJAXWMUDECKO-UHFFFAOYSA-N
XLogP2.75
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67060111) is 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is Cc1cc(OCC2CN=C(N)O2)ccc1-c1ccccc1.
What is the InChIKey of 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is STAJAXWMUDECKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-9-14(20-11-15-10-19-17(18)21-15)7-8-16(12)13-5-3-2-4-6-13/h2-9,15H,10-11H2,1H3,(H2,18,19).
What are the key properties of 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 282.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-4-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67060111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).