2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

C11H18FN3O2 — CID 70969169

IUPAC2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc(CCNC(=O)C(F)C(C)(C)C)n1
InChIInChI=1S/C11H18FN3O2/c1-7-14-8(17-15-7)5-6-13-10(16)9(12)11(2,3)4/h9H,5-6H2,1-4H3,(H,13,16)
InChIKeyBNKRPUMRLXBRCV-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.42
Rot. Bonds4

About 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide

2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (PubChem CID 70969169) has the molecular formula C11H18FN3O2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
PubChem CID70969169
Molecular FormulaC11H18FN3O2
Molecular Weight243.28 g/mol
Exact Mass243.14
IUPAC Name2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
SMILESCc1noc(CCNC(=O)C(F)C(C)(C)C)n1
InChIInChI=1S/C11H18FN3O2/c1-7-14-8(17-15-7)5-6-13-10(16)9(12)11(2,3)4/h9H,5-6H2,1-4H3,(H,13,16)
InChIKeyBNKRPUMRLXBRCV-UHFFFAOYSA-N
XLogP1.42
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The IUPAC name of 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide (CID 70969169) is 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide.
What is the SMILES notation for 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The canonical SMILES for 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is Cc1noc(CCNC(=O)C(F)C(C)(C)C)n1.
What is the InChIKey of 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
The InChIKey is BNKRPUMRLXBRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2/c1-7-14-8(17-15-7)5-6-13-10(16)9(12)11(2,3)4/h9H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide?
2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide has a molecular weight of 243.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,3-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide is sourced from PubChem (CID 70969169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).