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

C19H27NO3Se — CID 23256057

IUPAC(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H]([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H27NO3Se/c1-4-5-7-12-17(24-15-10-8-6-9-11-15)18(21)20-16(14(2)3)13-23-19(20)22/h6,8-11,14,16-17H,4-5,7,12-13H2,1-3H3/t16-,17+/m1/s1
InChIKeyFVFDJTITLKHVKA-SJORKVTESA-N
MW396.39 g/mol
LogP3.39
Rot. Bonds8

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

(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 23256057) has the molecular formula C19H27NO3Se and a molecular weight of 396.39 g/mol. Its IUPAC name is (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID23256057
Molecular FormulaC19H27NO3Se
Molecular Weight396.39 g/mol
Exact Mass397.12
IUPAC Name(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCCCC[C@H]([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C
InChIInChI=1S/C19H27NO3Se/c1-4-5-7-12-17(24-15-10-8-6-9-11-15)18(21)20-16(14(2)3)13-23-19(20)22/h6,8-11,14,16-17H,4-5,7,12-13H2,1-3H3/t16-,17+/m1/s1
InChIKeyFVFDJTITLKHVKA-SJORKVTESA-N
XLogP3.39
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoic acid
CID 20779374
(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
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
(4S)-3-(3-hydroxydecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15400986
3-heptanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22490329
tert-butyl (2S)-2-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638547
tert-butyl (2S)-2-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidine-3-carbonyl]octanoate
CID 124638549
(4R)-3-pentanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139919284
(4S)-3-[(2S,3S)-3-azido-2-bromo-3-phenylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11995499
3-[2-[(S)-methylsulfanyl(phenyl)methyl]butanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67883241
4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 23256057) is (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCCCC[C@H]([Se]c1ccccc1)C(=O)N1C(=O)OC[C@@H]1C(C)C.
What is the InChIKey of (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is FVFDJTITLKHVKA-SJORKVTESA-N. The full InChI is InChI=1S/C19H27NO3Se/c1-4-5-7-12-17(24-15-10-8-6-9-11-15)18(21)20-16(14(2)3)13-23-19(20)22/h6,8-11,14,16-17H,4-5,7,12-13H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 396.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S)-2-phenylselanylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23256057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).