3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

C26H30F3N3O2 — CID 56658352

IUPAC3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)CC(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H30F3N3O2/c1-18(2)16-22(30-17-19-8-10-21(11-9-19)26(27,28)29)24-31-23(20-6-4-3-5-7-20)25(34-24)32-12-14-33-15-13-32/h3-11,18,22,30H,12-17H2,1-2H3
InChIKeyAAQKADYLOGOUTR-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.07
Rot. Bonds8

About 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine

3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (PubChem CID 56658352) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
PubChem CID56658352
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Name3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
SMILESCC(C)CC(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1
InChIInChI=1S/C26H30F3N3O2/c1-18(2)16-22(30-17-19-8-10-21(11-9-19)26(27,28)29)24-31-23(20-6-4-3-5-7-20)25(34-24)32-12-14-33-15-13-32/h3-11,18,22,30H,12-17H2,1-2H3
InChIKeyAAQKADYLOGOUTR-UHFFFAOYSA-N
XLogP6.07
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The IUPAC name of 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine (CID 56658352) is 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine.
What is the SMILES notation for 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The canonical SMILES for 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is CC(C)CC(NCc1ccc(C(F)(F)F)cc1)c1nc(-c2ccccc2)c(N2CCOCC2)o1.
What is the InChIKey of 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
The InChIKey is AAQKADYLOGOUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c1-18(2)16-22(30-17-19-8-10-21(11-9-19)26(27,28)29)24-31-23(20-6-4-3-5-7-20)25(34-24)32-12-14-33-15-13-32/h3-11,18,22,30H,12-17H2,1-2H3.
What are the key properties of 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine?
3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine has a molecular weight of 473.54 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-morpholin-4-yl-4-phenyl-1,3-oxazol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine is sourced from PubChem (CID 56658352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).