CID 58822322

C18H23BN2O4 — CID 58822322

IUPAC—
SMILES[B]C(=O)N[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H23BN2O4/c1-11(2)13-10-25-17(24)21(13)15(22)14(20-16(19)23)18(3,4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyOQXMNEKOEWQUFV-ZIAGYGMSSA-N
MW342.20 g/mol
LogP2.21
Rot. Bonds5

About CID 58822322

CID 58822322 (PubChem CID 58822322) has the molecular formula C18H23BN2O4 and a molecular weight of 342.20 g/mol.

Molecular Properties

Compound NameCID 58822322
PubChem CID58822322
Molecular FormulaC18H23BN2O4
Molecular Weight342.20 g/mol
Exact Mass342.18
IUPAC Name—
SMILES[B]C(=O)N[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)(C)c1ccccc1
InChIInChI=1S/C18H23BN2O4/c1-11(2)13-10-25-17(24)21(13)15(22)14(20-16(19)23)18(3,4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,20,23)/t13-,14-/m1/s1
InChIKeyOQXMNEKOEWQUFV-ZIAGYGMSSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 134462003
(4S)-3-(2-methyl-3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 134835001
3-(2-phenylselanylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 22298317
1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-phenylethane-1,2-dione
CID 11832186
2-hydroxy-2,3-dimethyl-4-oxo-4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)butanenitrile
CID 5242505
tert-butyl N-[(Z,2S)-4-(2-aminophenyl)-3,3-dimethyl-1-oxo-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]hex-4-en-2-yl]carbamate
CID 89244757
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456
tert-butyl (3R)-3-benzyl-4-oxo-4-[(4R)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]butanoate
CID 14213076
(4S)-3-[(2R,3S)-2-methyl-3-phenyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 24746063
(4R)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11010755

Frequently Asked Questions

What is the IUPAC name of CID 58822322?
The IUPAC name of CID 58822322 (CID 58822322) is not available.
What is the SMILES notation for CID 58822322?
The canonical SMILES for CID 58822322 is [B]C(=O)N[C@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)(C)c1ccccc1.
What is the InChIKey of CID 58822322?
The InChIKey is OQXMNEKOEWQUFV-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H23BN2O4/c1-11(2)13-10-25-17(24)21(13)15(22)14(20-16(19)23)18(3,4)12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,20,23)/t13-,14-/m1/s1.
What are the key properties of CID 58822322?
CID 58822322 has a molecular weight of 342.20 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58822322 is sourced from PubChem (CID 58822322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).