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

C16H16N2O2 — CID 14796823

IUPAC5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(COc2cccc(-c3ccccc3)c2)O1
InChIInChI=1S/C16H16N2O2/c17-16-18-10-15(20-16)11-19-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,17,18)
InChIKeyFEBXKUGHMQFLGU-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.45
Rot. Bonds4

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

5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 14796823) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID14796823
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NCC(COc2cccc(-c3ccccc3)c2)O1
InChIInChI=1S/C16H16N2O2/c17-16-18-10-15(20-16)11-19-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,17,18)
InChIKeyFEBXKUGHMQFLGU-UHFFFAOYSA-N
XLogP2.45
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 14796823) is 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NCC(COc2cccc(-c3ccccc3)c2)O1.
What is the InChIKey of 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is FEBXKUGHMQFLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-16-18-10-15(20-16)11-19-14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-9,15H,10-11H2,(H2,17,18).
What are the key properties of 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 14796823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).