4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one

C22H23NO3 — CID 146583981

IUPAC4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@H](CC(=O)N2C(=O)OCC2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H23NO3/c1-15-11-17(20-10-6-5-9-19(15)20)13-21(24)23-18(14-26-22(23)25)12-16-7-3-2-4-8-16/h2-10,15,17-18H,11-14H2,1H3/t15-,17+,18?/m0/s1
InChIKeyYKYSDQMHSZRUKK-CTDRKSARSA-N
MW349.43 g/mol
LogP4.26
Rot. Bonds4

About 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one

4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one (PubChem CID 146583981) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one
PubChem CID146583981
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@H](CC(=O)N2C(=O)OCC2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H23NO3/c1-15-11-17(20-10-6-5-9-19(15)20)13-21(24)23-18(14-26-22(23)25)12-16-7-3-2-4-8-16/h2-10,15,17-18H,11-14H2,1H3/t15-,17+,18?/m0/s1
InChIKeyYKYSDQMHSZRUKK-CTDRKSARSA-N
XLogP4.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 146584444
(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
CID 58101971
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
CID 156622324
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-(4-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 10592004
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one (CID 146583981) is 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one is C[C@H]1C[C@H](CC(=O)N2C(=O)OCC2Cc2ccccc2)c2ccccc21.
What is the InChIKey of 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one?
The InChIKey is YKYSDQMHSZRUKK-CTDRKSARSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15-11-17(20-10-6-5-9-19(15)20)13-21(24)23-18(14-26-22(23)25)12-16-7-3-2-4-8-16/h2-10,15,17-18H,11-14H2,1H3/t15-,17+,18?/m0/s1.
What are the key properties of 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 146583981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).