3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide

C22H22ClN3O3 — CID 46298045

IUPAC3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H22ClN3O3/c1-14-3-8-18(15(2)13-14)24-21(27)19-20(16-4-6-17(23)7-5-16)25-29-22(19)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyFAOSFOGEMBUCQQ-UHFFFAOYSA-N
MW411.89 g/mol
LogP4.70
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide

3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 46298045) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID46298045
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)c(C)c1
InChIInChI=1S/C22H22ClN3O3/c1-14-3-8-18(15(2)13-14)24-21(27)19-20(16-4-6-17(23)7-5-16)25-29-22(19)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyFAOSFOGEMBUCQQ-UHFFFAOYSA-N
XLogP4.70
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119227
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(2,4-dimorpholin-4-ylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 4794943
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615243
6-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-1,1-dioxo-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 50749879
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
N-(2,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052893
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
CID 46298074
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide
CID 30847412
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide (CID 46298045) is 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(-c3ccc(Cl)cc3)noc2N2CCOCC2)c(C)c1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is FAOSFOGEMBUCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c1-14-3-8-18(15(2)13-14)24-21(27)19-20(16-4-6-17(23)7-5-16)25-29-22(19)26-9-11-28-12-10-26/h3-8,13H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46298045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).