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

C17H17FN4O3 — CID 24791645

IUPACN-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)no1
InChIInChI=1S/C17H17FN4O3/c1-11-10-14(22-25-11)17-21-20-16(24-17)7-6-15(23)19-9-8-12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3,(H,19,23)
InChIKeyURSQEAMMRBRPPT-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.46
Rot. Bonds7

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

N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 24791645) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID24791645
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1cc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)no1
InChIInChI=1S/C17H17FN4O3/c1-11-10-14(22-25-11)17-21-20-16(24-17)7-6-15(23)19-9-8-12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3,(H,19,23)
InChIKeyURSQEAMMRBRPPT-UHFFFAOYSA-N
XLogP2.46
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide 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 N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 24791645) is N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1cc(-c2nnc(CCC(=O)NCCc3ccccc3F)o2)no1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is URSQEAMMRBRPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-11-10-14(22-25-11)17-21-20-16(24-17)7-6-15(23)19-9-8-12-4-2-3-5-13(12)18/h2-5,10H,6-9H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 344.35 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 24791645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).