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

C17H16FN3O2S — CID 28768205

IUPACN-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)o2)s1
InChIInChI=1S/C17H16FN3O2S/c1-11-5-6-14(24-11)17-21-20-16(23-17)8-7-15(22)19-10-12-3-2-4-13(18)9-12/h2-6,9H,7-8,10H2,1H3,(H,19,22)
InChIKeyAGVHHDWUWYDHKY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.49
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 28768205) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID28768205
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)o2)s1
InChIInChI=1S/C17H16FN3O2S/c1-11-5-6-14(24-11)17-21-20-16(23-17)8-7-15(22)19-10-12-3-2-4-13(18)9-12/h2-6,9H,7-8,10H2,1H3,(H,19,22)
InChIKeyAGVHHDWUWYDHKY-UHFFFAOYSA-N
XLogP3.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-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-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 28768205) is N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCc3cccc(F)c3)o2)s1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is AGVHHDWUWYDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-5-6-14(24-11)17-21-20-16(23-17)8-7-15(22)19-10-12-3-2-4-13(18)9-12/h2-6,9H,7-8,10H2,1H3,(H,19,22).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 28768205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).