3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide

C21H20ClN3O3 — CID 2677807

IUPAC3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H20ClN3O3/c1-14-19(20(24-28-14)15-6-2-3-7-16(15)22)21(26)23-17-8-4-5-9-18(17)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyHWDDSOCEBMCFDX-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.39
Rot. Bonds4

About 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 2677807) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID2677807
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H20ClN3O3/c1-14-19(20(24-28-14)15-6-2-3-7-16(15)22)21(26)23-17-8-4-5-9-18(17)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3,(H,23,26)
InChIKeyHWDDSOCEBMCFDX-UHFFFAOYSA-N
XLogP4.39
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nucleozin
CID 2863945
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
4-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-2,6-dimethylmorpholine
CID 627025
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
N-(2-carbamoylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 987751
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide (CID 2677807) is 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is HWDDSOCEBMCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-14-19(20(24-28-14)15-6-2-3-7-16(15)22)21(26)23-17-8-4-5-9-18(17)25-10-12-27-13-11-25/h2-9H,10-13H2,1H3,(H,23,26).
What are the key properties of 3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 397.86 g/mol, XLogP of 4.39, 4 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-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2677807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).