N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide

C16H23N3O3 — CID 174407433

IUPACN'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide
SMILESCC1(C)OC[C@H](Cc2ccccc2)N1CCNC(=O)C(N)=O
InChIInChI=1S/C16H23N3O3/c1-16(2)19(9-8-18-15(21)14(17)20)13(11-22-16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m0/s1
InChIKeyDQISJQFONKWVKV-ZDUSSCGKSA-N
MW305.38 g/mol
LogP0.27
Rot. Bonds5

About N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide

N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide (PubChem CID 174407433) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide
PubChem CID174407433
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide
SMILESCC1(C)OC[C@H](Cc2ccccc2)N1CCNC(=O)C(N)=O
InChIInChI=1S/C16H23N3O3/c1-16(2)19(9-8-18-15(21)14(17)20)13(11-22-16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m0/s1
InChIKeyDQISJQFONKWVKV-ZDUSSCGKSA-N
XLogP0.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide with MolForge

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Related Compounds

ethyl 2-[[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]amino]-2-oxoacetate
CID 54056950
benzyl 4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14633851
benzyl (4R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-oxazolidine-3-carboxylate
CID 11002753
1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-[5-(4-phenylphenyl)furan-2-yl]ethanone
CID 18341262
1-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-[5-(4-phenylphenyl)furan-2-yl]ethane-1,2-dione
CID 18380414
[2-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-oxoethyl] benzenesulfinate
CID 59034679
4-[(benzylamino)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 71255191
benzyl 4-(3-hydroxypropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67079773
dimethyl (2S,5R)-5-[[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]methyl]pyrrolidine-1,2-dicarboxylate
CID 122231297
benzyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11414364
[2-(4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-2-oxo-1-[5-(4-phenylphenyl)furan-2-yl]ethyl] acetate
CID 18380385
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide?
The IUPAC name of N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide (CID 174407433) is N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide.
What is the SMILES notation for N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide?
The canonical SMILES for N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide is CC1(C)OC[C@H](Cc2ccccc2)N1CCNC(=O)C(N)=O.
What is the InChIKey of N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide?
The InChIKey is DQISJQFONKWVKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2)19(9-8-18-15(21)14(17)20)13(11-22-16)10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H2,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide?
N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide has a molecular weight of 305.38 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]ethyl]oxamide is sourced from PubChem (CID 174407433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).