N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide

C15H19ClN2O4 — CID 7353441

IUPACN-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
SMILESCC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@@]1(C)O
InChIInChI=1S/C15H19ClN2O4/c1-14(2)15(3,21)18(13(20)22-14)9-8-12(19)17-11-6-4-10(16)5-7-11/h4-7,21H,8-9H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyCIQZHCROWAPQQC-HNNXBMFYSA-N
MW326.78 g/mol
LogP2.61
Rot. Bonds4

About N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide

N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide (PubChem CID 7353441) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
PubChem CID7353441
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC NameN-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide
SMILESCC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@@]1(C)O
InChIInChI=1S/C15H19ClN2O4/c1-14(2)15(3,21)18(13(20)22-14)9-8-12(19)17-11-6-4-10(16)5-7-11/h4-7,21H,8-9H2,1-3H3,(H,17,19)/t15-/m0/s1
InChIKeyCIQZHCROWAPQQC-HNNXBMFYSA-N
XLogP2.61
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide (CID 7353441) is N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide is CC1(C)OC(=O)N(CCC(=O)Nc2ccc(Cl)cc2)[C@@]1(C)O.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide?
The InChIKey is CIQZHCROWAPQQC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-14(2)15(3,21)18(13(20)22-14)9-8-12(19)17-11-6-4-10(16)5-7-11/h4-7,21H,8-9H2,1-3H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide?
N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide has a molecular weight of 326.78 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(4S)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]propanamide is sourced from PubChem (CID 7353441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).