ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

C19H19ClN2O5S — CID 40815512

IUPACethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@H](CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClN2O5S/c1-2-26-19(23)18-12-16(27-21-18)13-22(15-6-4-3-5-7-15)28(24,25)17-10-8-14(20)9-11-17/h3-11,16H,2,12-13H2,1H3/t16-/m1/s1
InChIKeyYCSDXWJCICKNCZ-MRXNPFEDSA-N
MW422.89 g/mol
LogP3.24
Rot. Bonds7

About ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (PubChem CID 40815512) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
PubChem CID40815512
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Nameethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)C1=NO[C@@H](CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H19ClN2O5S/c1-2-26-19(23)18-12-16(27-21-18)13-22(15-6-4-3-5-7-15)28(24,25)17-10-8-14(20)9-11-17/h3-11,16H,2,12-13H2,1H3/t16-/m1/s1
InChIKeyYCSDXWJCICKNCZ-MRXNPFEDSA-N
XLogP3.24
TPSA85.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate with MolForge

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Related Compounds

ethyl 4-[3-(N-(4-chlorophenyl)sulfonylanilino)propylamino]-4-oxobutanoate
CID 42703056
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
4-chloro-N-(4-chlorophenyl)-N-[(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 2768898
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126145191
ethyl 5-[[(3Z)-3-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]propoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 145008750
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 1318540
ethyl 4-[5-[(Z)-[[2-(N-(4-chlorophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]furan-2-yl]benzoate
CID 126035217
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetate
CID 7454068
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate (CID 40815512) is ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is CCOC(=O)C1=NO[C@@H](CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
The InChIKey is YCSDXWJCICKNCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c1-2-26-19(23)18-12-16(27-21-18)13-22(15-6-4-3-5-7-15)28(24,25)17-10-8-14(20)9-11-17/h3-11,16H,2,12-13H2,1H3/t16-/m1/s1.
What are the key properties of ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate?
ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate has a molecular weight of 422.89 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-[(N-(4-chlorophenyl)sulfonylanilino)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 40815512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).