N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide

C20H28FN3O2 — CID 83281491

IUPACN-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCCC(C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H28FN3O2/c1-6-14(2)24(18(25)13-20(3,4)5)12-11-17-22-19(23-26-17)15-7-9-16(21)10-8-15/h7-10,14H,6,11-13H2,1-5H3
InChIKeyFQRZJHJYRGBSIG-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.48
Rot. Bonds7

About N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide

N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 83281491) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID83281491
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC NameN-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
SMILESCCC(C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H28FN3O2/c1-6-14(2)24(18(25)13-20(3,4)5)12-11-17-22-19(23-26-17)15-7-9-16(21)10-8-15/h7-10,14H,6,11-13H2,1-5H3
InChIKeyFQRZJHJYRGBSIG-UHFFFAOYSA-N
XLogP4.48
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 83279519
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 83280256
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 83281058
N-butan-2-yl-2-chloro-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288758
N-[(2R)-butan-2-yl]-N-[2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 98372425
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-butan-2-yl-4-methyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83288442
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide
CID 47087614
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
N-cyclopropyl-N-(4-ethylcyclohexyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55593598
N-butan-2-yl-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 83284745
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 9426673

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide (CID 83281491) is N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide is CCC(C)N(CCc1nc(-c2ccc(F)cc2)no1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is FQRZJHJYRGBSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-6-14(2)24(18(25)13-20(3,4)5)12-11-17-22-19(23-26-17)15-7-9-16(21)10-8-15/h7-10,14H,6,11-13H2,1-5H3.
What are the key properties of N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide?
N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 361.46 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 83281491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).