3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H24F3N3O3 — CID 60524283

IUPAC3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)no1
InChIInChI=1S/C19H24F3N3O3/c1-12-7-15(8-13(2)18(12)27-11-19(20,21)22)10-25(4)6-5-17(26)23-16-9-14(3)28-24-16/h7-9H,5-6,10-11H2,1-4H3,(H,23,24,26)
InChIKeyQJJMTTNURKISCU-UHFFFAOYSA-N
MW399.41 g/mol
LogP4.00
Rot. Bonds8

About 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 60524283) has the molecular formula C19H24F3N3O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID60524283
Molecular FormulaC19H24F3N3O3
Molecular Weight399.41 g/mol
Exact Mass399.18
IUPAC Name3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)no1
InChIInChI=1S/C19H24F3N3O3/c1-12-7-15(8-13(2)18(12)27-11-19(20,21)22)10-25(4)6-5-17(26)23-16-9-14(3)28-24-16/h7-9H,5-6,10-11H2,1-4H3,(H,23,24,26)
InChIKeyQJJMTTNURKISCU-UHFFFAOYSA-N
XLogP4.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 60524283) is 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)no1.
What is the InChIKey of 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is QJJMTTNURKISCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O3/c1-12-7-15(8-13(2)18(12)27-11-19(20,21)22)10-25(4)6-5-17(26)23-16-9-14(3)28-24-16/h7-9H,5-6,10-11H2,1-4H3,(H,23,24,26).
What are the key properties of 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 399.41 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 60524283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).