tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate

C27H37NO6 — CID 163522562

IUPACtert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(C(C)C(=O)N1C(=O)OC(c2ccccc2)C1C)C1CCCC2C(C(=O)OC(C)(C)C)C12
InChIInChI=1S/C27H37NO6/c1-15(24(29)28-16(2)23(33-26(28)31)17-11-8-7-9-12-17)22(32-6)19-14-10-13-18-20(19)21(18)25(30)34-27(3,4)5/h7-9,11-12,15-16,18-23H,10,13-14H2,1-6H3
InChIKeyDMBZLFACGMUMJA-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.75
Rot. Bonds6

About tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate

tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate (PubChem CID 163522562) has the molecular formula C27H37NO6 and a molecular weight of 471.59 g/mol. Its IUPAC name is tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate
PubChem CID163522562
Molecular FormulaC27H37NO6
Molecular Weight471.59 g/mol
Exact Mass471.26
IUPAC Nametert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate
SMILESCOC(C(C)C(=O)N1C(=O)OC(c2ccccc2)C1C)C1CCCC2C(C(=O)OC(C)(C)C)C12
InChIInChI=1S/C27H37NO6/c1-15(24(29)28-16(2)23(33-26(28)31)17-11-8-7-9-12-17)22(32-6)19-14-10-13-18-20(19)21(18)25(30)34-27(3,4)5/h7-9,11-12,15-16,18-23H,10,13-14H2,1-6H3
InChIKeyDMBZLFACGMUMJA-UHFFFAOYSA-N
XLogP4.75
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[1-hydroxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 85314624
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 130377218
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(4R,5S)-3-[(2R,3S)-3-hydroxy-2-methylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10469525
(4S,5R)-3-[(2S)-2-fluoro-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135055387
3-[3-hydroxy-2-methyl-3-(1-methyl-4-methylidenepyrrolidin-2-yl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 145135094
(4R,5S)-4-methyl-3-[(2S)-2-phenoxypropanoyl]-5-phenyl-1,3-oxazolidin-2-one
CID 139070120
(4R,5S)-3-[(2R,3R)-3-hydroxy-2-methyl-4-phenylmethoxybutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11176533
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
(4R,5S)-3-[(2S)-2-methoxy-3-phenylmethoxypropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 10981479
tert-butyl N-[(E,2S,5R)-5-benzyl-6-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-6-oxo-1-phenylhex-3-en-2-yl]carbamate
CID 11713764
4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-3-carboxamide
CID 57349112

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate?
The IUPAC name of tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate (CID 163522562) is tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate is COC(C(C)C(=O)N1C(=O)OC(c2ccccc2)C1C)C1CCCC2C(C(=O)OC(C)(C)C)C12.
What is the InChIKey of tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate?
The InChIKey is DMBZLFACGMUMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO6/c1-15(24(29)28-16(2)23(33-26(28)31)17-11-8-7-9-12-17)22(32-6)19-14-10-13-18-20(19)21(18)25(30)34-27(3,4)5/h7-9,11-12,15-16,18-23H,10,13-14H2,1-6H3.
What are the key properties of tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate?
tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate has a molecular weight of 471.59 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-methoxy-2-methyl-3-(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)-3-oxopropyl]bicyclo[4.1.0]heptane-7-carboxylate is sourced from PubChem (CID 163522562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).