N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide

C20H28N2O3 — CID 72901400

IUPACN-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(2)18-14-25-20(24)22(18)13-19(23)21(17-10-6-7-11-17)12-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t18-/m1/s1
InChIKeyIROXKIYQLKXFEV-GOSISDBHSA-N
MW344.45 g/mol
LogP3.43
Rot. Bonds6

About N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide

N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide (PubChem CID 72901400) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide
PubChem CID72901400
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide
SMILESCC(C)[C@H]1COC(=O)N1CC(=O)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C20H28N2O3/c1-15(2)18-14-25-20(24)22(18)13-19(23)21(17-10-6-7-11-17)12-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t18-/m1/s1
InChIKeyIROXKIYQLKXFEV-GOSISDBHSA-N
XLogP3.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide (CID 72901400) is N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide is CC(C)[C@H]1COC(=O)N1CC(=O)N(Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is IROXKIYQLKXFEV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-15(2)18-14-25-20(24)22(18)13-19(23)21(17-10-6-7-11-17)12-16-8-4-3-5-9-16/h3-5,8-9,15,17-18H,6-7,10-14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide?
N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 344.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopentyl-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 72901400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).