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

C12H14ClNO2 — CID 13342003

IUPAC(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
SMILESCC1(C)COC(C(O)c2ccccc2Cl)=N1
InChIInChI=1S/C12H14ClNO2/c1-12(2)7-16-11(14-12)10(15)8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3
InChIKeyKOMIMAQTBHDFSG-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.58
Rot. Bonds2

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

(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol (PubChem CID 13342003) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
PubChem CID13342003
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol
SMILESCC1(C)COC(C(O)c2ccccc2Cl)=N1
InChIInChI=1S/C12H14ClNO2/c1-12(2)7-16-11(14-12)10(15)8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3
InChIKeyKOMIMAQTBHDFSG-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol (CID 13342003) is (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol is CC1(C)COC(C(O)c2ccccc2Cl)=N1.
What is the InChIKey of (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
The InChIKey is KOMIMAQTBHDFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(2)7-16-11(14-12)10(15)8-5-3-4-6-9(8)13/h3-6,10,15H,7H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol?
(2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol has a molecular weight of 239.70 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4,4-dimethyl-5H-1,3-oxazol-2-yl)methanol is sourced from PubChem (CID 13342003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).