tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate

C32H32N2O5 — CID 91382032

IUPACtert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@H]1C=Cc1ccccc1
InChIInChI=1S/C32H32N2O5/c1-32(2,3)39-26(35)21-33-25(20-19-22-13-7-4-8-14-22)28(30(33)36)34-27(23-15-9-5-10-16-23)29(38-31(34)37)24-17-11-6-12-18-24/h4-20,25,27-29H,21H2,1-3H3/t25-,27+,28+,29-/m1/s1
InChIKeyFAFNLHCDKXLJRD-FFIOMTCJSA-N
MW524.62 g/mol
LogP5.56
Rot. Bonds7

About tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate

tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate (PubChem CID 91382032) has the molecular formula C32H32N2O5 and a molecular weight of 524.62 g/mol. Its IUPAC name is tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate
PubChem CID91382032
Molecular FormulaC32H32N2O5
Molecular Weight524.62 g/mol
Exact Mass524.23
IUPAC Nametert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@H]1C=Cc1ccccc1
InChIInChI=1S/C32H32N2O5/c1-32(2,3)39-26(35)21-33-25(20-19-22-13-7-4-8-14-22)28(30(33)36)34-27(23-15-9-5-10-16-23)29(38-31(34)37)24-17-11-6-12-18-24/h4-20,25,27-29H,21H2,1-3H3/t25-,27+,28+,29-/m1/s1
InChIKeyFAFNLHCDKXLJRD-FFIOMTCJSA-N
XLogP5.56
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.62
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate with MolForge

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Related Compounds

2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid
CID 66587194
tert-butyl (4S)-5-oxo-4-[2-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-4-[(E)-2-phenylethenyl]azetidin-1-yl]pentanoate
CID 138474890
methyl 2-[(3S,4R)-3-(1,3-dioxoisoindol-2-yl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 101189032
(4R,5S)-4,5-diphenyl-3-[(E)-3-phenylprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10690444
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
tert-butyl 2-[(4R)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 125482450
methyl (Z)-3-[[(3S,4R)-1-(2-methoxy-2-oxoethyl)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]amino]but-2-enoate
CID 10522374
tert-butyl (3S)-4-oxo-3-[(3R,4R)-2-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 24895682
tert-butyl 2-[(3S,7S)-3-(ethylamino)-2-oxo-7-phenylazepan-1-yl]acetate
CID 71032139
methyl 2-[(3S,4R)-3-azido-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]acetate
CID 11000635
tert-butyl 2-[(2R)-2-phenylaziridin-1-yl]acetate
CID 101369674
tert-butyl 2-[(3S,5R)-3-bromo-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
CID 10477770

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate (CID 91382032) is tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate is CC(C)(C)OC(=O)CN1C(=O)[C@@H](N2C(=O)O[C@H](c3ccccc3)[C@@H]2c2ccccc2)[C@H]1C=Cc1ccccc1.
What is the InChIKey of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate?
The InChIKey is FAFNLHCDKXLJRD-FFIOMTCJSA-N. The full InChI is InChI=1S/C32H32N2O5/c1-32(2,3)39-26(35)21-33-25(20-19-22-13-7-4-8-14-22)28(30(33)36)34-27(23-15-9-5-10-16-23)29(38-31(34)37)24-17-11-6-12-18-24/h4-20,25,27-29H,21H2,1-3H3/t25-,27+,28+,29-/m1/s1.
What are the key properties of tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate?
tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate has a molecular weight of 524.62 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate is sourced from PubChem (CID 91382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).