3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

C22H18ClN3O2S — CID 90546480

IUPAC3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C22H18ClN3O2S/c1-13-18(29-22(25-13)15-8-4-3-5-9-15)12-24-21(27)19-14(2)28-26-20(19)16-10-6-7-11-17(16)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyILUZGIUKEOOQEO-UHFFFAOYSA-N
MW423.93 g/mol
LogP5.67
Rot. Bonds5

About 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 90546480) has the molecular formula C22H18ClN3O2S and a molecular weight of 423.93 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID90546480
Molecular FormulaC22H18ClN3O2S
Molecular Weight423.93 g/mol
Exact Mass423.08
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C22H18ClN3O2S/c1-13-18(29-22(25-13)15-8-4-3-5-9-15)12-24-21(27)19-14(2)28-26-20(19)16-10-6-7-11-17(16)23/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyILUZGIUKEOOQEO-UHFFFAOYSA-N
XLogP5.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.93
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
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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
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N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-carboxamide
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N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide (CID 90546480) is 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ILUZGIUKEOOQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2S/c1-13-18(29-22(25-13)15-8-4-3-5-9-15)12-24-21(27)19-14(2)28-26-20(19)16-10-6-7-11-17(16)23/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 423.93 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90546480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).