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

C22H20F3N3O3 — CID 2088972

IUPAC5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H20F3N3O3/c1-14-19(20(27-31-14)15-5-3-2-4-6-15)21(29)26-17-13-16(22(23,24)25)7-8-18(17)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,29)
InChIKeyVOLJJTQLYXFYRH-UHFFFAOYSA-N
MW431.41 g/mol
LogP4.76
Rot. Bonds4

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

5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2088972) has the molecular formula C22H20F3N3O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2088972
Molecular FormulaC22H20F3N3O3
Molecular Weight431.41 g/mol
Exact Mass431.15
IUPAC Name5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C22H20F3N3O3/c1-14-19(20(27-31-14)15-5-3-2-4-6-15)21(29)26-17-13-16(22(23,24)25)7-8-18(17)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,29)
InChIKeyVOLJJTQLYXFYRH-UHFFFAOYSA-N
XLogP4.76
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
[4-(2,3-Dimethylphenyl)piperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 1220334
6-(4-(dimethylamino)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137718
6-(3-(dimethylamino)phenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137731
5-methyl-N-[2-(morpholin-4-yl)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 700868
5-methyl-N-(2-morpholin-4-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 2083055
Methyl 5-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}-2-morpholinobenzoate
CID 2810081
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 3911409
3-(2,4-difluorophenyl)-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 16030825
N,5-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 7999207
3-ethyl-5-methyl-N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 17452729
5-methyl-3-phenyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 24240201

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide (CID 2088972) is 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is VOLJJTQLYXFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O3/c1-14-19(20(27-31-14)15-5-3-2-4-6-15)21(29)26-17-13-16(22(23,24)25)7-8-18(17)28-9-11-30-12-10-28/h2-8,13H,9-12H2,1H3,(H,26,29).
What are the key properties of 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide?
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 431.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2088972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).