(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C15H21NO2 — CID 134975680

IUPAC(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H21NO2/c1-4-13(12-8-6-5-7-9-12)16-14(11(2)3)10-18-15(16)17/h5-9,11,13-14H,4,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyHBELAADBXJYUFA-UONOGXRCSA-N
MW247.34 g/mol
LogP3.61
Rot. Bonds4

About (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 134975680) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID134975680
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC[C@@H](c1ccccc1)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C15H21NO2/c1-4-13(12-8-6-5-7-9-12)16-14(11(2)3)10-18-15(16)17/h5-9,11,13-14H,4,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyHBELAADBXJYUFA-UONOGXRCSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-3-[(1R)-1-naphthalen-1-ylethyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14383325
3-[2-[(S)-methylsulfanyl(phenyl)methyl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67883241
3-[[2-[(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)methyl]phenyl]methyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 138601243
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4R)-3-[(E,3R)-2,3-diphenylbut-1-enyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772016
(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
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 102464759
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
(4S)-3-[(2S,3S)-3-azido-2-bromo-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11995499

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 134975680) is (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC[C@@H](c1ccccc1)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is HBELAADBXJYUFA-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-13(12-8-6-5-7-9-12)16-14(11(2)3)10-18-15(16)17/h5-9,11,13-14H,4,10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(1S)-1-phenylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134975680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).