(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one

C18H16Cl2N2O3 — CID 174188865

IUPAC(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(13-8-15(19)21-16(20)9-13)7-17(23)22-14(10-25-18(22)24)12-5-3-2-4-6-12/h2-6,8-9,11,14H,7,10H2,1H3/t11?,14-/m1/s1
InChIKeyKOWOKWNRAYRPNM-SBXXRYSUSA-N
MW379.24 g/mol
LogP4.60
Rot. Bonds4

About (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 174188865) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID174188865
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O3/c1-11(13-8-15(19)21-16(20)9-13)7-17(23)22-14(10-25-18(22)24)12-5-3-2-4-6-12/h2-6,8-9,11,14H,7,10H2,1H3/t11?,14-/m1/s1
InChIKeyKOWOKWNRAYRPNM-SBXXRYSUSA-N
XLogP4.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 174188865) is (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is CC(CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KOWOKWNRAYRPNM-SBXXRYSUSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-11(13-8-15(19)21-16(20)9-13)7-17(23)22-14(10-25-18(22)24)12-5-3-2-4-6-12/h2-6,8-9,11,14H,7,10H2,1H3/t11?,14-/m1/s1.
What are the key properties of (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 379.24 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-(2,6-dichloro-4-pyridinyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 174188865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).