(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate

C24H21N2O5- — CID 11898975

IUPAC(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
SMILESCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])ON(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-30-19-14-12-17(13-15-19)25-23(27)20-21(16-8-4-2-5-9-16)26(31-22(20)24(28)29)18-10-6-3-7-11-18/h2-15,20-22H,1H3,(H,25,27)(H,28,29)/p-1/t20-,21+,22+/m1/s1
InChIKeyUJVPADQYHUNJPW-FSSWDIPSSA-M
MW417.44 g/mol
LogP2.56
Rot. Bonds6

About (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate

(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate (PubChem CID 11898975) has the molecular formula C24H21N2O5- and a molecular weight of 417.44 g/mol. Its IUPAC name is (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Name(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
PubChem CID11898975
Molecular FormulaC24H21N2O5-
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate
SMILESCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])ON(c3ccccc3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-30-19-14-12-17(13-15-19)25-23(27)20-21(16-8-4-2-5-9-16)26(31-22(20)24(28)29)18-10-6-3-7-11-18/h2-15,20-22H,1H3,(H,25,27)(H,28,29)/p-1/t20-,21+,22+/m1/s1
InChIKeyUJVPADQYHUNJPW-FSSWDIPSSA-M
XLogP2.56
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate with MolForge

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Related Compounds

(3S,4S,5S)-4-[(4-ethoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylic acid
CID 26370580
(3R,4S,5R)-3-(4-chlorophenyl)-4-[(4-fluorophenyl)carbamoyl]-2-phenyl-1,2-oxazolidine-5-carboxylic acid
CID 26371547
(1S,2R,3R,4S)-3-[(4-methoxyphenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98123638
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
N-(4-methoxyphenyl)-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxamide
CID 56727777
(2R,3S)-N-(4-methoxyphenyl)-3-methyloxirane-2-carboxamide
CID 13135700
(3S,3aR,6aR)-2-(4-methoxyphenyl)-3,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7428662
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(3R,4R,5S)-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxamide
CID 10517014
(3S,3aR,6aR)-3-(4-hydroxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 6958607
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2902385

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate?
The IUPAC name of (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate (CID 11898975) is (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate is COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])ON(c3ccccc3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate?
The InChIKey is UJVPADQYHUNJPW-FSSWDIPSSA-M. The full InChI is InChI=1S/C24H22N2O5/c1-30-19-14-12-17(13-15-19)25-23(27)20-21(16-8-4-2-5-9-16)26(31-22(20)24(28)29)18-10-6-3-7-11-18/h2-15,20-22H,1H3,(H,25,27)(H,28,29)/p-1/t20-,21+,22+/m1/s1.
What are the key properties of (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate?
(3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate has a molecular weight of 417.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-[(4-methoxyphenyl)carbamoyl]-2,3-diphenyl-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 11898975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).