ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

C25H23NO4 — CID 18474979

IUPACethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO4/c1-2-29-24(27)22-23(20-16-10-5-11-17-20)30-25(28)26(22)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-23H,2H2,1H3
InChIKeyFLYPXEYUWHSCJR-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.90
Rot. Bonds6

About ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate

ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (PubChem CID 18474979) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
PubChem CID18474979
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Nameethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO4/c1-2-29-24(27)22-23(20-16-10-5-11-17-20)30-25(28)26(22)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-23H,2H2,1H3
InChIKeyFLYPXEYUWHSCJR-UHFFFAOYSA-N
XLogP4.90
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl (2R,3R)-1-benzhydryl-3-(4-fluorophenyl)aziridine-2-carboxylate
CID 101477953
ethyl (4R,5S)-2-oxo-5-phenyl-1,3-dioxolane-4-carboxylate
CID 124672191
ethyl 1-benzhydrylazetidine-3-carboxylate
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CID 101262822
ethyl 2-benzhydryl-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 71210393
ethyl 1-benzhydryl-3-phenyl-2,3-dihydropyrrole-4-carboxylate
CID 164675466
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
ethyl (4R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 101429412
ethyl 2-imino-5-phenyl-1,3-oxathiolane-4-carboxylate
CID 585137

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate (CID 18474979) is ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1C(c2ccccc2)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is FLYPXEYUWHSCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-2-29-24(27)22-23(20-16-10-5-11-17-20)30-25(28)26(22)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-23H,2H2,1H3.
What are the key properties of ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate?
ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 401.46 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzhydryl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).