(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H25Cl2NO3 — CID 22975837

IUPAC(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](CC1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-12(2)17-11-26-20(25)23(17)19(24)15(10-13-6-3-4-7-13)14-8-5-9-16(21)18(14)22/h5,8-9,12-13,15,17H,3-4,6-7,10-11H2,1-2H3/t15-,17-/m1/s1
InChIKeyZBVUWYVIANFUKT-NVXWUHKLSA-N
MW398.33 g/mol
LogP5.66
Rot. Bonds5

About (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 22975837) has the molecular formula C20H25Cl2NO3 and a molecular weight of 398.33 g/mol. Its IUPAC name is (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID22975837
Molecular FormulaC20H25Cl2NO3
Molecular Weight398.33 g/mol
Exact Mass397.12
IUPAC Name(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)[C@H](CC1CCCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C20H25Cl2NO3/c1-12(2)17-11-26-20(25)23(17)19(24)15(10-13-6-3-4-7-13)14-8-5-9-16(21)18(14)22/h5,8-9,12-13,15,17H,3-4,6-7,10-11H2,1-2H3/t15-,17-/m1/s1
InChIKeyZBVUWYVIANFUKT-NVXWUHKLSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.33
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 22975837) is (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)[C@H](CC1CCCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZBVUWYVIANFUKT-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H25Cl2NO3/c1-12(2)17-11-26-20(25)23(17)19(24)15(10-13-6-3-4-7-13)14-8-5-9-16(21)18(14)22/h5,8-9,12-13,15,17H,3-4,6-7,10-11H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 398.33 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-3-cyclopentyl-2-(2,3-dichlorophenyl)propanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22975837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).