3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

C17H22FN3O2 — CID 86982425

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)16-19-14(23-20-16)8-9-15(22)21(4)11-12-6-5-7-13(18)10-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyZPFHCHXAOYEWDW-UHFFFAOYSA-N
MW319.38 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 86982425) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID86982425
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCc1nc(C(C)(C)C)no1
InChIInChI=1S/C17H22FN3O2/c1-17(2,3)16-19-14(23-20-16)8-9-15(22)21(4)11-12-6-5-7-13(18)10-12/h5-7,10H,8-9,11H2,1-4H3
InChIKeyZPFHCHXAOYEWDW-UHFFFAOYSA-N
XLogP3.10
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-cyanophenyl)methyl]-N-methylpropanamide
CID 38496583
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 46439877
N-[(3-fluorophenyl)methyl]-3-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 137026778
methyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-[(3-fluorophenyl)methyl]amino]acetate
CID 47072634
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(2-hydroxyphenyl)methyl]-N-methylpropanamide
CID 87020082
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43039223
N-benzyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 110330721
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918448
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide (CID 86982425) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1cccc(F)c1)C(=O)CCc1nc(C(C)(C)C)no1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is ZPFHCHXAOYEWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-17(2,3)16-19-14(23-20-16)8-9-15(22)21(4)11-12-6-5-7-13(18)10-12/h5-7,10H,8-9,11H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 319.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 86982425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).