(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid

C21H23NO5 — CID 57172528

IUPAC(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@@H](c2ccccc2)O[C@@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24)/t16-,17+,18+/m0/s1
InChIKeyKLBMMNQENRBVRI-RCCFBDPRSA-N
MW369.42 g/mol
LogP4.15
Rot. Bonds3

About (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid

(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid (PubChem CID 57172528) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
PubChem CID57172528
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1[C@@H](c2ccccc2)O[C@@H](C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24)/t16-,17+,18+/m0/s1
InChIKeyKLBMMNQENRBVRI-RCCFBDPRSA-N
XLogP4.15
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid with MolForge

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Related Compounds

2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 77310176
(2R,4S,5R)-2-tert-butyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 67541584
(4S,5R)-2-(2,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 22865503
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
(4R,5R)-3-benzoyl-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 126963434
2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
CID 151863541
2-(2,6-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidine-5-carboxylic acid
CID 123447507
(4S)-2-(2,6-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)-1,3-oxazolidine-5-carboxylic acid
CID 130470766
(2R,3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenyl-1-oxa-4-azaspiro[4.5]decane-2-carboxylic acid
CID 71534303
1-O-tert-butyl 2-O-methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-phenylpyrrolidine-1,2-dicarboxylate
CID 56934741
(1,1,1-trichloro-2-methylpropan-2-yl) (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 10916338
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The IUPAC name of (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid (CID 57172528) is (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid.
What is the SMILES notation for (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The canonical SMILES for (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid is CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)O[C@@H](C(=O)O)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
The InChIKey is KLBMMNQENRBVRI-RCCFBDPRSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2,3)27-20(25)22-16(14-10-6-4-7-11-14)17(19(23)24)26-18(22)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3,(H,23,24)/t16-,17+,18+/m0/s1.
What are the key properties of (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid?
(2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2,4-diphenyl-1,3-oxazolidine-5-carboxylic acid is sourced from PubChem (CID 57172528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).