[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol

C13H18ClNO2 — CID 82120405

IUPAC[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
SMILESCCCN1CC(CO)OC1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-2-7-15-8-12(9-16)17-13(15)10-3-5-11(14)6-4-10/h3-6,12-13,16H,2,7-9H2,1H3
InChIKeyOGABZTAVLARHKQ-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.44
Rot. Bonds4

About [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol

[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol (PubChem CID 82120405) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
PubChem CID82120405
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol
SMILESCCCN1CC(CO)OC1c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClNO2/c1-2-7-15-8-12(9-16)17-13(15)10-3-5-11(14)6-4-10/h3-6,12-13,16H,2,7-9H2,1H3
InChIKeyOGABZTAVLARHKQ-UHFFFAOYSA-N
XLogP2.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
The IUPAC name of [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol (CID 82120405) is [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol.
What is the SMILES notation for [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
The canonical SMILES for [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol is CCCN1CC(CO)OC1c1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
The InChIKey is OGABZTAVLARHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-2-7-15-8-12(9-16)17-13(15)10-3-5-11(14)6-4-10/h3-6,12-13,16H,2,7-9H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol?
[2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol has a molecular weight of 255.74 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-3-propyl-1,3-oxazolidin-5-yl]methanol is sourced from PubChem (CID 82120405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).