4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide

C9H12F3N3O3 — CID 91762217

IUPAC4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCOCc1nc(CNC(=O)CCC(F)(F)F)no1
InChIInChI=1S/C9H12F3N3O3/c1-17-5-8-14-6(15-18-8)4-13-7(16)2-3-9(10,11)12/h2-5H2,1H3,(H,13,16)
InChIKeyZYQGFQKTWFXIAG-UHFFFAOYSA-N
MW267.21 g/mol
LogP1.17
Rot. Bonds6

About 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide

4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (PubChem CID 91762217) has the molecular formula C9H12F3N3O3 and a molecular weight of 267.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
PubChem CID91762217
Molecular FormulaC9H12F3N3O3
Molecular Weight267.21 g/mol
Exact Mass267.08
IUPAC Name4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
SMILESCOCc1nc(CNC(=O)CCC(F)(F)F)no1
InChIInChI=1S/C9H12F3N3O3/c1-17-5-8-14-6(15-18-8)4-13-7(16)2-3-9(10,11)12/h2-5H2,1H3,(H,13,16)
InChIKeyZYQGFQKTWFXIAG-UHFFFAOYSA-N
XLogP1.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,4,4-trifluoro-N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide
CID 53098243
2-chloro-N-[[5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 166431725
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 124680094
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]urea
CID 72908101
N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]propan-2-amine
CID 62341796
1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 75530723
methyl 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474749
2-(azocan-1-yl)-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 122556066
1-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 72874267
2-fluoro-N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 91917633
5-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methylamino]pyrazine-2-carboxylic acid
CID 167927177
4-acetyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxamide
CID 122560318

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide (CID 91762217) is 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is COCc1nc(CNC(=O)CCC(F)(F)F)no1.
What is the InChIKey of 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
The InChIKey is ZYQGFQKTWFXIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O3/c1-17-5-8-14-6(15-18-8)4-13-7(16)2-3-9(10,11)12/h2-5H2,1H3,(H,13,16).
What are the key properties of 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide?
4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide has a molecular weight of 267.21 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]butanamide is sourced from PubChem (CID 91762217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).