3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one

C26H27NO5 — CID 70303357

IUPAC3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOC(c1ccccc1)C1N(C(c2ccccc2)c2ccccc2)C(=O)OC1(OC)OC
InChIInChI=1S/C26H27NO5/c1-29-23(21-17-11-6-12-18-21)24-26(30-2,31-3)32-25(28)27(24)22(19-13-7-4-8-14-19)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3
InChIKeyVESVBDGEKVEGHG-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.93
Rot. Bonds8

About 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one

3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 70303357) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID70303357
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one
SMILESCOC(c1ccccc1)C1N(C(c2ccccc2)c2ccccc2)C(=O)OC1(OC)OC
InChIInChI=1S/C26H27NO5/c1-29-23(21-17-11-6-12-18-21)24-26(30-2,31-3)32-25(28)27(24)22(19-13-7-4-8-14-19)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3
InChIKeyVESVBDGEKVEGHG-UHFFFAOYSA-N
XLogP4.93
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (3S,4R,5R)-5-methoxy-4-[methoxy(phenyl)methyl]-5-methyl-2-oxooxolane-3-carboxylate
CID 102014082
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
CID 54028985
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474979
1-benzhydryl-3a-ethoxy-5-(2-methylpropyl)-7,7a-dihydropyrano[3,2-d][1,3]oxazol-2-one
CID 10179575
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
(3S,4R)-1-benzhydryl-3-methyl-4-phenylazetidin-2-one
CID 13045168
(4S)-3-(1-methylsulfanylethyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10832063
methyl 3-benzhydryl-4-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 12010021
4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
CID 11773029
3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
CID 139780863
3-[(4-benzhydrylpiperazin-1-yl)methyl]-1-oxa-3-azaspiro[4.4]nonane-2,4-dione
CID 12857771

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one (CID 70303357) is 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one is COC(c1ccccc1)C1N(C(c2ccccc2)c2ccccc2)C(=O)OC1(OC)OC.
What is the InChIKey of 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is VESVBDGEKVEGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-29-23(21-17-11-6-12-18-21)24-26(30-2,31-3)32-25(28)27(24)22(19-13-7-4-8-14-19)20-15-9-5-10-16-20/h4-18,22-24H,1-3H3.
What are the key properties of 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one?
3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 433.50 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-5,5-dimethoxy-4-[methoxy(phenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70303357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).