1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

C26H28F3N3O2 — CID 56661830

IUPAC1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1
InChIInChI=1S/C26H28F3N3O2/c27-26(28,29)21-10-6-19(7-11-21)17-30-23(20-8-9-20)24-31-22(16-18-4-2-1-3-5-18)25(34-24)32-12-14-33-15-13-32/h1-7,10-11,20,23,30H,8-9,12-17H2
InChIKeyWCUSQDOMUZDEAC-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.36
Rot. Bonds8

About 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine

1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 56661830) has the molecular formula C26H28F3N3O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID56661830
Molecular FormulaC26H28F3N3O2
Molecular Weight471.52 g/mol
Exact Mass471.21
IUPAC Name1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1
InChIInChI=1S/C26H28F3N3O2/c27-26(28,29)21-10-6-19(7-11-21)17-30-23(20-8-9-20)24-31-22(16-18-4-2-1-3-5-18)25(34-24)32-12-14-33-15-13-32/h1-7,10-11,20,23,30H,8-9,12-17H2
InChIKeyWCUSQDOMUZDEAC-UHFFFAOYSA-N
XLogP5.36
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine (CID 56661830) is 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccc(CNC(c2nc(Cc3ccccc3)c(N3CCOCC3)o2)C2CC2)cc1.
What is the InChIKey of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is WCUSQDOMUZDEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O2/c27-26(28,29)21-10-6-19(7-11-21)17-30-23(20-8-9-20)24-31-22(16-18-4-2-1-3-5-18)25(34-24)32-12-14-33-15-13-32/h1-7,10-11,20,23,30H,8-9,12-17H2.
What are the key properties of 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine?
1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 471.52 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-5-morpholin-4-yl-1,3-oxazol-2-yl)-1-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 56661830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).