tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate

C19H27N3O4 — CID 124846666

IUPACtert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
SMILESC[C@H](Nc1cccc(N2CCOC2=O)c1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H27N3O4/c1-13(14-11-21(12-14)17(23)26-19(2,3)4)20-15-6-5-7-16(10-15)22-8-9-25-18(22)24/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyJDBNKNNHCKFOEG-ZDUSSCGKSA-N
MW361.44 g/mol
LogP3.31
Rot. Bonds4

About tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate

tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate (PubChem CID 124846666) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
PubChem CID124846666
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Nametert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
SMILESC[C@H](Nc1cccc(N2CCOC2=O)c1)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H27N3O4/c1-13(14-11-21(12-14)17(23)26-19(2,3)4)20-15-6-5-7-16(10-15)22-8-9-25-18(22)24/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3/t13-/m0/s1
InChIKeyJDBNKNNHCKFOEG-ZDUSSCGKSA-N
XLogP3.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate 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-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
CID 102562050
methyl 5-oxo-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-3-carboxylate
CID 168695288
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
1-O-tert-butyl 4-O-ethyl 3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-1,4-dicarboxylate
CID 176684694
3-[3-(1-thiophen-3-ylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 62090156
tert-butyl N-[[(2S)-4-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]piperazin-2-yl]methyl]carbamate
CID 96538336
2-amino-4-methoxy-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 62475194
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
5-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618465
2-chloro-5-methylsulfanyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 46413072
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 167971466

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate (CID 124846666) is tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate is C[C@H](Nc1cccc(N2CCOC2=O)c1)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate?
The InChIKey is JDBNKNNHCKFOEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13(14-11-21(12-14)17(23)26-19(2,3)4)20-15-6-5-7-16(10-15)22-8-9-25-18(22)24/h5-7,10,13-14,20H,8-9,11-12H2,1-4H3/t13-/m0/s1.
What are the key properties of tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate?
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate is sourced from PubChem (CID 124846666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).