methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate

C24H27N3O7 — CID 135014241

IUPACmethyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2coc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)oc1-c1ccccc1
InChIInChI=1S/C24H27N3O7/c1-23(2,3)34-22(29)27-16(13-32-24(27,4)5)20-25-15(12-31-20)19-26-17(21(28)30-6)18(33-19)14-10-8-7-9-11-14/h7-12,16H,13H2,1-6H3/t16-/m1/s1
InChIKeyKIOQIATVMULKMP-MRXNPFEDSA-N
MW469.49 g/mol
LogP4.83
Rot. Bonds4

About methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate

methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 135014241) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate
PubChem CID135014241
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Namemethyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2coc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)oc1-c1ccccc1
InChIInChI=1S/C24H27N3O7/c1-23(2,3)34-22(29)27-16(13-32-24(27,4)5)20-25-15(12-31-20)19-26-17(21(28)30-6)18(33-19)14-10-8-7-9-11-14/h7-12,16H,13H2,1-6H3/t16-/m1/s1
InChIKeyKIOQIATVMULKMP-MRXNPFEDSA-N
XLogP4.83
TPSA117.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-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

methyl 2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 24862308
methyl 2-[2-[2-[2-[2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 24862354
2-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 11954900
methyl 2-[2-[2-[(4S)-2,2-dimethyl-3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate
CID 11984205
tert-butyl (4S)-4-[4-[(1S,2S)-1-methoxy-2-methylbut-3-enyl]-1,3-oxazol-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 46944341
tert-butyl (4S)-2,2-dimethyl-4-[4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-oxazol-2-yl]-1,3-oxazolidine-3-carboxylate
CID 16733541
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
tert-butyl (4R)-2,2-dimethyl-4-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-oxazolidine-3-carboxylate
CID 10427737
tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate
CID 164875447
tert-butyl (4S)-4-(4-hydroxyphenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 130408299
tert-butyl (4S)-4-(4-iodophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 67151646
tert-butyl (4R)-4-(4-bromophenyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 164875432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate (CID 135014241) is methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate is COC(=O)c1nc(-c2coc([C@H]3COC(C)(C)N3C(=O)OC(C)(C)C)n2)oc1-c1ccccc1.
What is the InChIKey of methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is KIOQIATVMULKMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-23(2,3)34-22(29)27-16(13-32-24(27,4)5)20-25-15(12-31-20)19-26-17(21(28)30-6)18(33-19)14-10-8-7-9-11-14/h7-12,16H,13H2,1-6H3/t16-/m1/s1.
What are the key properties of methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate?
methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 469.49 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-1,3-oxazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 135014241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).