(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C20H22ClN3O4 — CID 24997055

IUPAC(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C20H22ClN3O4/c21-17-3-1-2-4-18(17)27-15-7-9-23(10-8-15)19-6-5-14(11-22-19)24-12-16(13-25)28-20(24)26/h1-6,11,15-16,25H,7-10,12-13H2/t16-/m1/s1
InChIKeyINDQGAQZHKAQIW-MRXNPFEDSA-N
MW403.87 g/mol
LogP3.10
Rot. Bonds5

About (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 24997055) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID24997055
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1
InChIInChI=1S/C20H22ClN3O4/c21-17-3-1-2-4-18(17)27-15-7-9-23(10-8-15)19-6-5-14(11-22-19)24-12-16(13-25)28-20(24)26/h1-6,11,15-16,25H,7-10,12-13H2/t16-/m1/s1
InChIKeyINDQGAQZHKAQIW-MRXNPFEDSA-N
XLogP3.10
TPSA75.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 24997055) is (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nc1.
What is the InChIKey of (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is INDQGAQZHKAQIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c21-17-3-1-2-4-18(17)27-15-7-9-23(10-8-15)19-6-5-14(11-22-19)24-12-16(13-25)28-20(24)26/h1-6,11,15-16,25H,7-10,12-13H2/t16-/m1/s1.
What are the key properties of (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 403.87 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[6-[4-(2-chlorophenoxy)piperidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 24997055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).