1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

C15H20N2O3 — CID 106417544

IUPAC1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCc2ccno2)c1
InChIInChI=1S/C15H20N2O3/c1-2-12-4-3-5-14(8-12)19-11-13(18)9-16-10-15-6-7-17-20-15/h3-8,13,16,18H,2,9-11H2,1H3
InChIKeyBJHHBXXICPFRHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds8

About 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol

1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (PubChem CID 106417544) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
PubChem CID106417544
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
SMILESCCc1cccc(OCC(O)CNCc2ccno2)c1
InChIInChI=1S/C15H20N2O3/c1-2-12-4-3-5-14(8-12)19-11-13(18)9-16-10-15-6-7-17-20-15/h3-8,13,16,18H,2,9-11H2,1H3
InChIKeyBJHHBXXICPFRHI-UHFFFAOYSA-N
XLogP1.77
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
1-(3-ethylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635464
(2R)-1-(3-ethylphenoxy)-3-(2-phenylethylamino)propan-2-ol
CID 2114693
1-(3-ethylphenoxy)-3-(4-methylpentylamino)propan-2-ol
CID 60743860
1-(3-ethylphenoxy)-3-(4-fluoroanilino)propan-2-ol
CID 60898710
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 106401529
2-[2-hydroxy-3-(1,2-oxazol-5-ylmethylamino)propoxy]benzonitrile
CID 106417937
1-[(3-ethoxyphenyl)methylamino]butan-2-ol
CID 60884367
1-(dicyclopropylmethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 60713290
1-(3-ethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83020851
1-[3-(methoxymethyl)phenoxy]-3-(propylamino)propan-2-ol
CID 63986764
1-(furan-2-ylmethoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol
CID 114186259

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The IUPAC name of 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol (CID 106417544) is 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol is CCc1cccc(OCC(O)CNCc2ccno2)c1.
What is the InChIKey of 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
The InChIKey is BJHHBXXICPFRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-12-4-3-5-14(8-12)19-11-13(18)9-16-10-15-6-7-17-20-15/h3-8,13,16,18H,2,9-11H2,1H3.
What are the key properties of 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol?
1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenoxy)-3-(1,2-oxazol-5-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106417544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).