methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

C21H23NO4 — CID 12010018

IUPACmethyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-14(2)19-18(20(23)25-3)22(21(24)26-19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3
InChIKeyWFNKZUVNHXRNFW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.79
Rot. Bonds5

About methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate

methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 12010018) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID12010018
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(C(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-14(2)19-18(20(23)25-3)22(21(24)26-19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3
InChIKeyWFNKZUVNHXRNFW-UHFFFAOYSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-benzhydryl-5-oxopyrrolidine-2-carboxylate
CID 14630708
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate
CID 102263792
Methyl 2-(dibenzylamino)pentanoate
CID 169612928
methyl (4R,5S)-3-[(3-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 139935184
(4-fluorophenyl)methyl (4R,5S)-3-benzyl-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
CID 139935189
(4R,5S)-3-[(3-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 139935192
methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 139935201
methyl (4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylate
CID 139935208
methyl (4R,5S)-3-[(4-fluorophenyl)methyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 139935210
(4R,5S)-3-[(2-fluorophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 139935220
(4-fluorophenyl)methyl (4R,5S)-3-benzyl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 139935241

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 12010018) is methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(C(C)C)OC(=O)N1C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is WFNKZUVNHXRNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14(2)19-18(20(23)25-3)22(21(24)26-19)17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17-19H,1-3H3.
What are the key properties of methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate?
methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzhydryl-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 12010018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).