1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol

C13H16ClNO2 — CID 19781583

IUPAC1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H16ClNO2/c1-8(16)11-6-9(14)4-5-10(11)12-15-13(2,3)7-17-12/h4-6,8,16H,7H2,1-3H3
InChIKeySRGXPYOWCGEETK-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.95
Rot. Bonds2

About 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol

1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol (PubChem CID 19781583) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol
PubChem CID19781583
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol
SMILESCC(O)c1cc(Cl)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C13H16ClNO2/c1-8(16)11-6-9(14)4-5-10(11)12-15-13(2,3)7-17-12/h4-6,8,16H,7H2,1-3H3
InChIKeySRGXPYOWCGEETK-UHFFFAOYSA-N
XLogP2.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol?
The IUPAC name of 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol (CID 19781583) is 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol.
What is the SMILES notation for 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol?
The canonical SMILES for 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol is CC(O)c1cc(Cl)ccc1C1=NC(C)(C)CO1.
What is the InChIKey of 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol?
The InChIKey is SRGXPYOWCGEETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8(16)11-6-9(14)4-5-10(11)12-15-13(2,3)7-17-12/h4-6,8,16H,7H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol?
1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol has a molecular weight of 253.73 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]ethanol is sourced from PubChem (CID 19781583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).