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

C25H28ClN3O5 — CID 4879502

IUPAC3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C25H28ClN3O5/c1-4-32-21-15-20(29-10-12-31-13-11-29)22(33-5-2)14-19(21)27-25(30)23-16(3)34-28-24(23)17-8-6-7-9-18(17)26/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,30)
InChIKeyGUTNSQCVZVLDDB-UHFFFAOYSA-N
MW485.97 g/mol
LogP5.19
Rot. Bonds8

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

3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 4879502) has the molecular formula C25H28ClN3O5 and a molecular weight of 485.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID4879502
Molecular FormulaC25H28ClN3O5
Molecular Weight485.97 g/mol
Exact Mass485.17
IUPAC Name3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C25H28ClN3O5/c1-4-32-21-15-20(29-10-12-31-13-11-29)22(33-5-2)14-19(21)27-25(30)23-16(3)34-28-24(23)17-8-6-7-9-18(17)26/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,30)
InChIKeyGUTNSQCVZVLDDB-UHFFFAOYSA-N
XLogP5.19
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.97
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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

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Related Compounds

5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chloro-6-fluorophenyl)-N-(2,5-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129476
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129479
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 1050479
N4-(4-morpholinophenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide
CID 2796800
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 3911409

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 4879502) is 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is GUTNSQCVZVLDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O5/c1-4-32-21-15-20(29-10-12-31-13-11-29)22(33-5-2)14-19(21)27-25(30)23-16(3)34-28-24(23)17-8-6-7-9-18(17)26/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,27,30).
What are the key properties of 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 485.97 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4879502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).