(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one

C18H23NO3 — CID 156622324

IUPAC(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C1
InChIInChI=1S/C18H23NO3/c1-18(2)10-14(11-18)9-16(20)19-15(12-22-17(19)21)8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t15-/m0/s1
InChIKeyITIQHBTWZSVSNN-HNNXBMFYSA-N
MW301.39 g/mol
LogP3.40
Rot. Bonds4

About (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 156622324) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID156622324
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C1
InChIInChI=1S/C18H23NO3/c1-18(2)10-14(11-18)9-16(20)19-15(12-22-17(19)21)8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t15-/m0/s1
InChIKeyITIQHBTWZSVSNN-HNNXBMFYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-benzyl-3-[2-(4-methylcyclohexyl)acetyl]-1,3-oxazolidin-2-one
CID 58101971
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
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
4-benzyl-3-[2-[(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 146583981
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one (CID 156622324) is (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one is CC1(C)CC(CC(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)C1.
What is the InChIKey of (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is ITIQHBTWZSVSNN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2)10-14(11-18)9-16(20)19-15(12-22-17(19)21)8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-(3,3-dimethylcyclobutyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 156622324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).