[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

C10H9Cl2NO2 — CID 58681032

IUPAC[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2/t7-/m1/s1
InChIKeyRSPMDRRXJBXQIR-SSDOTTSWSA-N
MW246.09 g/mol
LogP2.48
Rot. Bonds2

About [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol

[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (PubChem CID 58681032) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
PubChem CID58681032
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Name[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
SMILESOC[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2/t7-/m1/s1
InChIKeyRSPMDRRXJBXQIR-SSDOTTSWSA-N
XLogP2.48
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The IUPAC name of [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol (CID 58681032) is [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is OC[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1.
What is the InChIKey of [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
The InChIKey is RSPMDRRXJBXQIR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-6-1-2-8(9(12)3-6)10-4-7(5-14)15-13-10/h1-3,7,14H,4-5H2/t7-/m1/s1.
What are the key properties of [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol?
[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol has a molecular weight of 246.09 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 58681032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).