(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide

C21H22Cl3N3O3 — CID 143615145

IUPAC(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide
SMILESC[C@H]1OCN(C(=O)NCc2ccc(Cl)cc2Cl)[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl3N3O3/c1-13-19(20(28)26(2)11-14-3-6-16(22)7-4-14)27(12-30-13)21(29)25-10-15-5-8-17(23)9-18(15)24/h3-9,13,19H,10-12H2,1-2H3,(H,25,29)/t13-,19-/m1/s1
InChIKeyQVTJAOMTFDHABA-BFUOFWGJSA-N
MW470.78 g/mol
LogP4.56
Rot. Bonds5

About (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide

(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide (PubChem CID 143615145) has the molecular formula C21H22Cl3N3O3 and a molecular weight of 470.78 g/mol. Its IUPAC name is (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide.

Molecular Properties

Compound Name(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide
PubChem CID143615145
Molecular FormulaC21H22Cl3N3O3
Molecular Weight470.78 g/mol
Exact Mass469.07
IUPAC Name(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide
SMILESC[C@H]1OCN(C(=O)NCc2ccc(Cl)cc2Cl)[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl3N3O3/c1-13-19(20(28)26(2)11-14-3-6-16(22)7-4-14)27(12-30-13)21(29)25-10-15-5-8-17(23)9-18(15)24/h3-9,13,19H,10-12H2,1-2H3,(H,25,29)/t13-,19-/m1/s1
InChIKeyQVTJAOMTFDHABA-BFUOFWGJSA-N
XLogP4.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-N-[(4-chlorophenyl)methyl]-1-N-[[2-ethyl-5-(trifluoromethyl)phenyl]methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 143615079
2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-N-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-1-carboxamide
CID 70894364
(2R)-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1-N-[(3-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 143615289
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4-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclohexane-1-carboxamide
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N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide?
The IUPAC name of (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide (CID 143615145) is (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide.
What is the SMILES notation for (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide?
The canonical SMILES for (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide is C[C@H]1OCN(C(=O)NCc2ccc(Cl)cc2Cl)[C@H]1C(=O)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide?
The InChIKey is QVTJAOMTFDHABA-BFUOFWGJSA-N. The full InChI is InChI=1S/C21H22Cl3N3O3/c1-13-19(20(28)26(2)11-14-3-6-16(22)7-4-14)27(12-30-13)21(29)25-10-15-5-8-17(23)9-18(15)24/h3-9,13,19H,10-12H2,1-2H3,(H,25,29)/t13-,19-/m1/s1.
What are the key properties of (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide?
(4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide has a molecular weight of 470.78 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-N-[(4-chlorophenyl)methyl]-3-N-[(2,4-dichlorophenyl)methyl]-4-N,5-dimethyl-1,3-oxazolidine-3,4-dicarboxamide is sourced from PubChem (CID 143615145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).