benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate

C20H22N2O4 — CID 53243017

IUPACbenzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)[C@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14-7-6-8-15(2)18(14)21-19(23)17-12-25-13-22(17)20(24)26-11-16-9-4-3-5-10-16/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMZYCQZNDOVBZIO-QGZVFWFLSA-N
MW354.41 g/mol
LogP3.24
Rot. Bonds4

About benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate

benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 53243017) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate
PubChem CID53243017
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namebenzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate
SMILESCc1cccc(C)c1NC(=O)[C@H]1COCN1C(=O)OCc1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14-7-6-8-15(2)18(14)21-19(23)17-12-25-13-22(17)20(24)26-11-16-9-4-3-5-10-16/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m1/s1
InChIKeyMZYCQZNDOVBZIO-QGZVFWFLSA-N
XLogP3.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
benzyl (4S)-4-[(E)-3-(diethylamino)prop-2-enoyl]-1,3-oxazolidine-3-carboxylate
CID 15487455
benzyl (2S,4S)-2-[(2,3-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1251151
benzyl (3R)-3-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 1118332
5-(3-phenylmethoxycarbonyl-1,3-oxazolidin-4-yl)pentanoic acid
CID 57109367
benzyl (2S,4R)-4-hydroxy-2-[(2,4,6-triethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 51032116
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
benzyl (2S)-2-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126004824
benzyl 3-(2-bromoacetyl)morpholine-4-carboxylate
CID 104701369
benzyl (4R)-4-methyl-1,3-oxazolidine-3-carboxylate;benzyl 1,3-oxazolidine-3-carboxylate;bis(carbon dioxide)
CID 160599386
3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 113235909

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate (CID 53243017) is benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate is Cc1cccc(C)c1NC(=O)[C@H]1COCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is MZYCQZNDOVBZIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-7-6-8-15(2)18(14)21-19(23)17-12-25-13-22(17)20(24)26-11-16-9-4-3-5-10-16/h3-10,17H,11-13H2,1-2H3,(H,21,23)/t17-/m1/s1.
What are the key properties of benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate?
benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-[(2,6-dimethylphenyl)carbamoyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 53243017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).