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

C14H16FN3O2 — CID 131892196

IUPACN-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCCCc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-10-13(18-20-17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyCNRQAIRSLJQKOW-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.81
Rot. Bonds6

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

N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 131892196) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID131892196
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCCCc1ccccc1F
InChIInChI=1S/C14H16FN3O2/c1-10-13(18-20-17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)
InChIKeyCNRQAIRSLJQKOW-UHFFFAOYSA-N
XLogP1.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691877
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 77092821
N-(4-acetamidobutyl)-4-(2-fluorophenyl)butanamide
CID 110609858
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenyl)propyl]propanamide
CID 131891594
N-(3-acetamidopropyl)-2-(2-fluorophenyl)acetamide
CID 38450332
3-(2-fluorophenyl)-N-pentylpropanamide
CID 94133753
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(2-fluorophenyl)-N-[3-(furan-2-yl)propyl]acetamide
CID 100637712
N-[3-(dimethylamino)propyl]-4-(2-fluorophenyl)butanamide
CID 110408284
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
N-[3-(2-fluorophenyl)propyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 171138786

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 131892196) is N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCCCc1ccccc1F.
What is the InChIKey of N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is CNRQAIRSLJQKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10-13(18-20-17-10)9-14(19)16-8-4-6-11-5-2-3-7-12(11)15/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19).
What are the key properties of N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 277.30 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)propyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 131892196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).