5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one

C20H21ClN2O3 — CID 90656171

IUPAC5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C20H21ClN2O3/c21-18-7-2-1-6-17(18)19-13-23(20(24)26-19)14-4-3-5-16(12-14)25-15-8-10-22-11-9-15/h1-7,12,15,19,22H,8-11,13H2
InChIKeyFKMROTXMCRSJED-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.17
Rot. Bonds4

About 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one

5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 90656171) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one
PubChem CID90656171
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C20H21ClN2O3/c21-18-7-2-1-6-17(18)19-13-23(20(24)26-19)14-4-3-5-16(12-14)25-15-8-10-22-11-9-15/h1-7,12,15,19,22H,8-11,13H2
InChIKeyFKMROTXMCRSJED-UHFFFAOYSA-N
XLogP4.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one (CID 90656171) is 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one is O=C1OC(c2ccccc2Cl)CN1c1cccc(OC2CCNCC2)c1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is FKMROTXMCRSJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-18-7-2-1-6-17(18)19-13-23(20(24)26-19)14-4-3-5-16(12-14)25-15-8-10-22-11-9-15/h1-7,12,15,19,22H,8-11,13H2.
What are the key properties of 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one?
5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 372.85 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(3-piperidin-4-yloxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90656171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).