[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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Related Compounds

[6-methyl-2-(2-propoxyphenoxy)pyrimidin-4-yl]methanamine
CID 107542475
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 62239879
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
[6-(2-propoxyphenoxy)pyrazin-2-yl]methanol
CID 66467765
[4-[(2-propoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 63888254
[3,5-difluoro-4-(2-propoxyphenoxy)phenyl]methanamine
CID 63077707
1-(3-bromopropoxy)-2-propoxybenzene
CID 43135429
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
2-ethyl-5-methyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
CID 80988350
(1R)-1-[5-(2-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83127920

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).