tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate

C20H28N2O4 — CID 102562050

IUPACtert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CNc2cccc(N3CCOC3=O)c2)C1(C)C
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-17(23)16-15(20(16,4)5)12-21-13-7-6-8-14(11-13)22-9-10-25-18(22)24/h6-8,11,15-16,21H,9-10,12H2,1-5H3
InChIKeyNQUOXDSSTOTSKO-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.67
Rot. Bonds5

About tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate

tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate (PubChem CID 102562050) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
PubChem CID102562050
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nametert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1C(CNc2cccc(N3CCOC3=O)c2)C1(C)C
InChIInChI=1S/C20H28N2O4/c1-19(2,3)26-17(23)16-15(20(16,4)5)12-21-13-7-6-8-14(11-13)22-9-10-25-18(22)24/h6-8,11,15-16,21H,9-10,12H2,1-5H3
InChIKeyNQUOXDSSTOTSKO-UHFFFAOYSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

3-[3-(piperidin-4-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 79708178
tert-butyl N-[[(2S)-4-methyl-1-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]piperazin-2-yl]methyl]carbamate
CID 96538336
tert-butyl 3-[(1S)-1-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]azetidine-1-carboxylate
CID 124846666
3-[3-[2-(tert-butylamino)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 107445145
3-[3-[(5-methylfuran-2-yl)methylamino]phenyl]-1,3-oxazolidin-2-one
CID 43727255
3-[3-(oxan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 63740911
3-[3-(thiolan-3-ylmethylamino)phenyl]-1,3-oxazolidin-2-one
CID 107131674
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]butanamide
CID 61178628
3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 80705731
methyl 5-oxo-1-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-3-carboxylate
CID 168695288
4,4-dimethyl-5-[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]pentanenitrile
CID 115743208
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate (CID 102562050) is tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1C(CNc2cccc(N3CCOC3=O)c2)C1(C)C.
What is the InChIKey of tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate?
The InChIKey is NQUOXDSSTOTSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-19(2,3)26-17(23)16-15(20(16,4)5)12-21-13-7-6-8-14(11-13)22-9-10-25-18(22)24/h6-8,11,15-16,21H,9-10,12H2,1-5H3.
What are the key properties of tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate?
tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,2-dimethyl-3-[[3-(2-oxo-1,3-oxazolidin-3-yl)anilino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 102562050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).