2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol

C16H20N2O2 — CID 102676753

IUPAC2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(-c2ccccc2)no1)C1CCC1
InChIInChI=1S/C16H20N2O2/c19-10-9-18(14-7-4-8-14)12-15-11-16(17-20-15)13-5-2-1-3-6-13/h1-3,5-6,11,14,19H,4,7-10,12H2
InChIKeyBYFOQNDRYQGAMA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.69
Rot. Bonds6

About 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol

2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol (PubChem CID 102676753) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
PubChem CID102676753
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol
SMILESOCCN(Cc1cc(-c2ccccc2)no1)C1CCC1
InChIInChI=1S/C16H20N2O2/c19-10-9-18(14-7-4-8-14)12-15-11-16(17-20-15)13-5-2-1-3-6-13/h1-3,5-6,11,14,19H,4,7-10,12H2
InChIKeyBYFOQNDRYQGAMA-UHFFFAOYSA-N
XLogP2.69
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol (CID 102676753) is 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol is OCCN(Cc1cc(-c2ccccc2)no1)C1CCC1.
What is the InChIKey of 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol?
The InChIKey is BYFOQNDRYQGAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-10-9-18(14-7-4-8-14)12-15-11-16(17-20-15)13-5-2-1-3-6-13/h1-3,5-6,11,14,19H,4,7-10,12H2.
What are the key properties of 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol?
2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl-[(3-phenyl-1,2-oxazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 102676753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).