N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide

C17H20F3N3O2 — CID 55544203

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c1-4-14(16(24)21-15-9-11(2)25-22-15)23(3)10-12-7-5-6-8-13(12)17(18,19)20/h5-9,14H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyYDKQYPKABMIQSI-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.85
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide (PubChem CID 55544203) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide
PubChem CID55544203
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide
SMILESCCC(C(=O)Nc1cc(C)on1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H20F3N3O2/c1-4-14(16(24)21-15-9-11(2)25-22-15)23(3)10-12-7-5-6-8-13(12)17(18,19)20/h5-9,14H,4,10H2,1-3H3,(H,21,22,24)
InChIKeyYDKQYPKABMIQSI-UHFFFAOYSA-N
XLogP3.85
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 24560962
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 17412930
(2R)-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 40880591
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 34710973
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 86794026
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 17454282
(2S)-2-amino-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 79024953
5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 86166953
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
1-N'-(5-methyl-1,2-oxazol-3-yl)-1-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108983363
2-[3-methylbutyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42769264
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-methylsulfanylbutanamide
CID 94031927

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide (CID 55544203) is N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide is CCC(C(=O)Nc1cc(C)on1)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide?
The InChIKey is YDKQYPKABMIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-4-14(16(24)21-15-9-11(2)25-22-15)23(3)10-12-7-5-6-8-13(12)17(18,19)20/h5-9,14H,4,10H2,1-3H3,(H,21,22,24).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide has a molecular weight of 355.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanamide is sourced from PubChem (CID 55544203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).