1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol

C12H12ClNO2 — CID 115086885

IUPAC1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c1-8(15)11-7-14-12(16-11)6-9-2-4-10(13)5-3-9/h2-5,7-8,15H,6H2,1H3
InChIKeyRAPPCGMRJDRIMR-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.97
Rot. Bonds3

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

1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol (PubChem CID 115086885) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol
PubChem CID115086885
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c1-8(15)11-7-14-12(16-11)6-9-2-4-10(13)5-3-9/h2-5,7-8,15H,6H2,1H3
InChIKeyRAPPCGMRJDRIMR-UHFFFAOYSA-N
XLogP2.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol (CID 115086885) is 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol is CC(O)c1cnc(Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol?
The InChIKey is RAPPCGMRJDRIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-8(15)11-7-14-12(16-11)6-9-2-4-10(13)5-3-9/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol?
1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol has a molecular weight of 237.69 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115086885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).