tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H27NO6 — CID 155142412

IUPACtert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@H](O)c2ccc3c(c2)OCCO3)COC1(C)C
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-13(11-25-19(20,4)5)16(21)12-6-7-14-15(10-12)24-9-8-23-14/h6-7,10,13,16,21H,8-9,11H2,1-5H3/t13?,16-/m1/s1
InChIKeyAHKQWNJYBALFQN-FQNRMIAFSA-N
MW365.43 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 155142412) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID155142412
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Nametert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C([C@H](O)c2ccc3c(c2)OCCO3)COC1(C)C
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-13(11-25-19(20,4)5)16(21)12-6-7-14-15(10-12)24-9-8-23-14/h6-7,10,13,16,21H,8-9,11H2,1-5H3/t13?,16-/m1/s1
InChIKeyAHKQWNJYBALFQN-FQNRMIAFSA-N
XLogP2.86
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-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

tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (4S)-4-[(R)-acetyloxy-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102246928
tert-butyl (4S)-4-[(1S,2R)-1,2-dihydroxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11449120
[[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-hydroxymethyl]-trifluoroboranuide
CID 135003670
tert-butyl (4S)-4-[(S)-cyano(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11065036
tert-butyl (4R)-4-[(1S)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10491379
tert-butyl (4S)-4-[3,3-bis(benzylsulfanyl)-1-hydroxyprop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 102124080
tert-butyl (4R)-4-[(S)-hydroxy-(2-tridecylcyclopropen-1-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11775318
tert-butyl (4R)-4-[(1R)-1-hydroxy-3-(4-methoxyphenyl)prop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11537798
tert-butyl (4S)-4-[(1S,2S)-1,2-dihydroxy-3-methoxy-2-methyl-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15344420
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-methoxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11392503
tert-butyl (4R)-4-[(1S)-1-hydroxy-3-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 177409416

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 155142412) is tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C([C@H](O)c2ccc3c(c2)OCCO3)COC1(C)C.
What is the InChIKey of tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AHKQWNJYBALFQN-FQNRMIAFSA-N. The full InChI is InChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-13(11-25-19(20,4)5)16(21)12-6-7-14-15(10-12)24-9-8-23-14/h6-7,10,13,16,21H,8-9,11H2,1-5H3/t13?,16-/m1/s1.
What are the key properties of tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(R)-2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 155142412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).