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

C18H24FN3O2 — CID 142004010

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C18H24FN3O2/c1-4-10-18(11-5-2,16(23)20-3)17-21-15(22-24-17)12-13-6-8-14(19)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyVEGAQSNEXIXJRC-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.38
Rot. Bonds8

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

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide (PubChem CID 142004010) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide
PubChem CID142004010
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC)c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C18H24FN3O2/c1-4-10-18(11-5-2,16(23)20-3)17-21-15(22-24-17)12-13-6-8-14(19)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,20,23)
InChIKeyVEGAQSNEXIXJRC-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide 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-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide (CID 142004010) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide is CCCC(CCC)(C(=O)NC)c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide?
The InChIKey is VEGAQSNEXIXJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-4-10-18(11-5-2,16(23)20-3)17-21-15(22-24-17)12-13-6-8-14(19)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,20,23).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide has a molecular weight of 333.41 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methyl-2-propylpentanamide is sourced from PubChem (CID 142004010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).