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

C11H12ClNO2 — CID 57381011

IUPAC[(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESC[C@@]1(CO)COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO2/c1-11(6-14)7-15-10(13-11)8-2-4-9(12)5-3-8/h2-5,14H,6-7H2,1H3/t11-/m1/s1
InChIKeyUJMMNFPLCPZYEJ-LLVKDONJSA-N
MW225.68 g/mol
LogP1.87
Rot. Bonds2

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

[(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol (PubChem CID 57381011) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
PubChem CID57381011
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name[(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol
SMILESC[C@@]1(CO)COC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C11H12ClNO2/c1-11(6-14)7-15-10(13-11)8-2-4-9(12)5-3-8/h2-5,14H,6-7H2,1H3/t11-/m1/s1
InChIKeyUJMMNFPLCPZYEJ-LLVKDONJSA-N
XLogP1.87
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol (CID 57381011) is [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol is C[C@@]1(CO)COC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol?
The InChIKey is UJMMNFPLCPZYEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-11(6-14)7-15-10(13-11)8-2-4-9(12)5-3-8/h2-5,14H,6-7H2,1H3/t11-/m1/s1.
What are the key properties of [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol?
[(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol has a molecular weight of 225.68 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-(4-chlorophenyl)-4-methyl-5H-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 57381011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).