3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H20ClN3O4S — CID 51896602

IUPAC3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C20H20ClN3O4S/c1-11-17(18(23-28-11)12-6-2-3-7-13(12)21)19(26)22-14-8-4-5-9-15(14)24-16(25)10-29-20(24)27/h2-3,6-7,14-15H,4-5,8-10H2,1H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyLXSFTGQONRKDDS-CABCVRRESA-N
MW433.92 g/mol
LogP4.04
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 51896602) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID51896602
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O
InChIInChI=1S/C20H20ClN3O4S/c1-11-17(18(23-28-11)12-6-2-3-7-13(12)21)19(26)22-14-8-4-5-9-15(14)24-16(25)10-29-20(24)27/h2-3,6-7,14-15H,4-5,8-10H2,1H3,(H,22,26)/t14-,15+/m1/s1
InChIKeyLXSFTGQONRKDDS-CABCVRRESA-N
XLogP4.04
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(3-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 71786212
3-(2-chlorophenyl)-N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 95985195
N-(4-aminocyclohexyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119476843
3-(2-chlorophenyl)-5-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 2120638
methyl 4-[[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]carbamoyl]benzoate
CID 51896508
N-[(1R,2R)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 51896540
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119590660
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119590659
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138383979
3-(2-chlorophenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78886764

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 51896602) is 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O.
What is the InChIKey of 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LXSFTGQONRKDDS-CABCVRRESA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-11-17(18(23-28-11)12-6-2-3-7-13(12)21)19(26)22-14-8-4-5-9-15(14)24-16(25)10-29-20(24)27/h2-3,6-7,14-15H,4-5,8-10H2,1H3,(H,22,26)/t14-,15+/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 433.92 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[(1R,2S)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)cyclohexyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 51896602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).