N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide

C23H24FN3O3 — CID 46298074

IUPACN-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-3-16-8-6-7-15(2)20(16)25-22(28)19-21(17-9-4-5-10-18(17)24)26-30-23(19)27-11-13-29-14-12-27/h4-10H,3,11-14H2,1-2H3,(H,25,28)
InChIKeyVUMLYMGCDZEMGY-UHFFFAOYSA-N
MW409.46 g/mol
LogP4.44
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide

N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide (PubChem CID 46298074) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
PubChem CID46298074
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1c(-c2ccccc2F)noc1N1CCOCC1
InChIInChI=1S/C23H24FN3O3/c1-3-16-8-6-7-15(2)20(16)25-22(28)19-21(17-9-4-5-10-18(17)24)26-30-23(19)27-11-13-29-14-12-27/h4-10H,3,11-14H2,1-2H3,(H,25,28)
InChIKeyVUMLYMGCDZEMGY-UHFFFAOYSA-N
XLogP4.44
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805433
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-2-methylpropanamide
CID 93222599
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
3-N-(2-ethyl-6-methylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053328
3-(2-fluorophenyl)-5-methyl-N-(2-piperidin-1-ylethyl)-1,2-oxazole-4-carboxamide
CID 50805656
N-[(2S)-butan-2-yl]-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-4-methylbenzamide
CID 93222607
N'-(2-ethyl-6-methylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 44997846
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-1-phenylmethanamine
CID 46014763
N-[(2R)-butan-2-yl]-4-fluoro-N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]benzamide
CID 93222594
N'-(2-ethyl-6-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948276
N-[[3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazol-4-yl]methyl]-N-(3-methylbutyl)acetamide
CID 46028142

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide (CID 46298074) is N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide is CCc1cccc(C)c1NC(=O)c1c(-c2ccccc2F)noc1N1CCOCC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
The InChIKey is VUMLYMGCDZEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-3-16-8-6-7-15(2)20(16)25-22(28)19-21(17-9-4-5-10-18(17)24)26-30-23(19)27-11-13-29-14-12-27/h4-10H,3,11-14H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(2-fluorophenyl)-5-morpholin-4-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46298074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).