[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine

C13H16N2O3 — CID 113377974

IUPAC[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
SMILESCCCOc1ccccc1Oc1nc(CN)co1
InChIInChI=1S/C13H16N2O3/c1-2-7-16-11-5-3-4-6-12(11)18-13-15-10(8-14)9-17-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLTBKLCQKPDZTDU-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.71
Rot. Bonds6

About [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine

[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine (PubChem CID 113377974) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
PubChem CID113377974
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine
SMILESCCCOc1ccccc1Oc1nc(CN)co1
InChIInChI=1S/C13H16N2O3/c1-2-7-16-11-5-3-4-6-12(11)18-13-15-10(8-14)9-17-13/h3-6,9H,2,7-8,14H2,1H3
InChIKeyLTBKLCQKPDZTDU-UHFFFAOYSA-N
XLogP2.71
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine (CID 113377974) is [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine is CCCOc1ccccc1Oc1nc(CN)co1.
What is the InChIKey of [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine?
The InChIKey is LTBKLCQKPDZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-7-16-11-5-3-4-6-12(11)18-13-15-10(8-14)9-17-13/h3-6,9H,2,7-8,14H2,1H3.
What are the key properties of [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine?
[2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine has a molecular weight of 248.28 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propoxyphenoxy)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 113377974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).