[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol

C18H18N2O2 — CID 71991023

IUPAC[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H18N2O2/c1-13(20-16-9-5-6-14(10-16)12-21)18-19-11-17(22-18)15-7-3-2-4-8-15/h2-11,13,20-21H,12H2,1H3
InChIKeyAQHAUIHWCKEDPI-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.01
Rot. Bonds5

About [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol

[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol (PubChem CID 71991023) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
PubChem CID71991023
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol
SMILESCC(Nc1cccc(CO)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H18N2O2/c1-13(20-16-9-5-6-14(10-16)12-21)18-19-11-17(22-18)15-7-3-2-4-8-15/h2-11,13,20-21H,12H2,1H3
InChIKeyAQHAUIHWCKEDPI-UHFFFAOYSA-N
XLogP4.01
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The IUPAC name of [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol (CID 71991023) is [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol is CC(Nc1cccc(CO)c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
The InChIKey is AQHAUIHWCKEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13(20-16-9-5-6-14(10-16)12-21)18-19-11-17(22-18)15-7-3-2-4-8-15/h2-11,13,20-21H,12H2,1H3.
What are the key properties of [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol?
[3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol has a molecular weight of 294.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(5-phenyl-1,3-oxazol-2-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 71991023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).