1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol

C16H22N2O2 — CID 106417399

IUPAC1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCc2ccno2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3
InChIKeyWUJDFQMLPHETBS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.70
Rot. Bonds7

About 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol

1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol (PubChem CID 106417399) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol.

Molecular Properties

Compound Name1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
PubChem CID106417399
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol
SMILESCC(C)Cc1ccc(C(O)CNCc2ccno2)cc1
InChIInChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3
InChIKeyWUJDFQMLPHETBS-UHFFFAOYSA-N
XLogP2.70
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The IUPAC name of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol (CID 106417399) is 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol.
What is the SMILES notation for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The canonical SMILES for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol is CC(C)Cc1ccc(C(O)CNCc2ccno2)cc1.
What is the InChIKey of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
The InChIKey is WUJDFQMLPHETBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)9-13-3-5-14(6-4-13)16(19)11-17-10-15-7-8-18-20-15/h3-8,12,16-17,19H,9-11H2,1-2H3.
What are the key properties of 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol?
1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol has a molecular weight of 274.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylpropyl)phenyl]-2-(1,2-oxazol-5-ylmethylamino)ethanol is sourced from PubChem (CID 106417399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).