benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate

C21H27NO5 — CID 10384724

IUPACbenzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C21H27NO5/c1-15(2)17-14-27-20(25)22(17)18(23)12-21(10-6-7-11-21)19(24)26-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t17-/m1/s1
InChIKeySFZJCUXSRAZLFG-QGZVFWFLSA-N
MW373.45 g/mol
LogP3.68
Rot. Bonds6

About benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate

benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate (PubChem CID 10384724) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate
PubChem CID10384724
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Namebenzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate
SMILESCC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C21H27NO5/c1-15(2)17-14-27-20(25)22(17)18(23)12-21(10-6-7-11-21)19(24)26-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t17-/m1/s1
InChIKeySFZJCUXSRAZLFG-QGZVFWFLSA-N
XLogP3.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
benzyl N-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]carbamate
CID 11346476
(3R)-2,3-dibenzyl-1,4-bis[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butane-1,4-dione
CID 134462003
(3S)-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 135323323
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-(2-cyclopentylacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10082966
benzyl 1-[2-(dimethylamino)-2-oxoethyl]cyclohexane-1-carboxylate
CID 146950043
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
benzyl (3S)-5-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-5-oxo-3-propan-2-ylpentanoate
CID 10764752
(4S)-3-[(2S)-2-methyl-2-(phenylmethoxymethyl)but-3-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101068861
(4S)-3-[2-(2-chlorophenyl)acetyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15349555
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate (CID 10384724) is benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate is CC(C)[C@H]1COC(=O)N1C(=O)CC1(C(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate?
The InChIKey is SFZJCUXSRAZLFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27NO5/c1-15(2)17-14-27-20(25)22(17)18(23)12-21(10-6-7-11-21)19(24)26-13-16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3/t17-/m1/s1.
What are the key properties of benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate?
benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[2-oxo-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 10384724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).