(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one

C20H30N2O2 — CID 101435620

IUPAC(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1/C(=N/c2ccccc2)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C20H30N2O2/c1-7-11-15(4)18(23)22-17(14(2)3)20(5,6)24-19(22)21-16-12-9-8-10-13-16/h8-10,12-15,17H,7,11H2,1-6H3/b21-19-/t15-,17+/m1/s1
InChIKeyAUHQHFZJAZFMCE-PMFSDDQESA-N
MW330.47 g/mol
LogP4.77
Rot. Bonds5

About (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one

(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one (PubChem CID 101435620) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one
PubChem CID101435620
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one
SMILESCCC[C@@H](C)C(=O)N1/C(=N/c2ccccc2)OC(C)(C)[C@@H]1C(C)C
InChIInChI=1S/C20H30N2O2/c1-7-11-15(4)18(23)22-17(14(2)3)20(5,6)24-19(22)21-16-12-9-8-10-13-16/h8-10,12-15,17H,7,11H2,1-6H3/b21-19-/t15-,17+/m1/s1
InChIKeyAUHQHFZJAZFMCE-PMFSDDQESA-N
XLogP4.77
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpropan-1-one
CID 101435614
(3S)-1-[(4S)-5,5-dimethyl-4-propan-2-yl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-methylsulfanyl-3-phenylpropan-1-one
CID 102206676
(4S)-3-[(2R)-2-benzyl-3-(dibenzylamino)propanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23583463
(4S)-3-[(2R)-2-[[benzyl-[(1S)-1-phenylethyl]amino]methyl]-3-methylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101367508
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4R)-3-[(2R)-3-(benzylamino)-2-phenylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 73212174
(4S)-3-[(2S,3S)-2-[[benzyl-[(1R)-1-phenylethyl]amino]methyl]-3-hydroxy-3-phenylpropanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 23583189
(4R)-5,5-diphenyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15854117
(2S)-1-[(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,4-dihydro-3,1-benzoxazin-1-yl]-2-methylpentan-1-one
CID 10616655
(4S)-4-benzyl-5,5-dimethyl-3-[(2S)-2-methyl-3-phenylpropanoyl]-1,3-oxazolidin-2-one
CID 10937055
benzyl 4-[(1S)-2-(5,5-dimethyl-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 121438709
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-methylpentan-1-one
CID 120746565

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one?
The IUPAC name of (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one (CID 101435620) is (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one.
What is the SMILES notation for (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one?
The canonical SMILES for (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one is CCC[C@@H](C)C(=O)N1/C(=N/c2ccccc2)OC(C)(C)[C@@H]1C(C)C.
What is the InChIKey of (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one?
The InChIKey is AUHQHFZJAZFMCE-PMFSDDQESA-N. The full InChI is InChI=1S/C20H30N2O2/c1-7-11-15(4)18(23)22-17(14(2)3)20(5,6)24-19(22)21-16-12-9-8-10-13-16/h8-10,12-15,17H,7,11H2,1-6H3/b21-19-/t15-,17+/m1/s1.
What are the key properties of (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one?
(2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one has a molecular weight of 330.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-5,5-dimethyl-2-phenylimino-4-propan-2-yl-1,3-oxazolidin-3-yl]-2-methylpentan-1-one is sourced from PubChem (CID 101435620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).