[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol

C12H14ClNO2 — CID 89157445

IUPAC[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol
SMILESCC1(C)ON=C(c2ccc(Cl)cc2)C1CO
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(7-15)11(14-16-12)8-3-5-9(13)6-4-8/h3-6,10,15H,7H2,1-2H3
InChIKeySWWXZLGDZMGWFX-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.46
Rot. Bonds2

About [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol

[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol (PubChem CID 89157445) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol
PubChem CID89157445
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol
SMILESCC1(C)ON=C(c2ccc(Cl)cc2)C1CO
InChIInChI=1S/C12H14ClNO2/c1-12(2)10(7-15)11(14-16-12)8-3-5-9(13)6-4-8/h3-6,10,15H,7H2,1-2H3
InChIKeySWWXZLGDZMGWFX-UHFFFAOYSA-N
XLogP2.46
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol?
The IUPAC name of [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol (CID 89157445) is [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol is CC1(C)ON=C(c2ccc(Cl)cc2)C1CO.
What is the InChIKey of [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol?
The InChIKey is SWWXZLGDZMGWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(2)10(7-15)11(14-16-12)8-3-5-9(13)6-4-8/h3-6,10,15H,7H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol?
[3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol has a molecular weight of 239.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5,5-dimethyl-4H-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 89157445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).