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

C19H22FN3OS — CID 18103377

IUPACN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCc1sc(-c2nnc(CN(C)C(C)c3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C19H22FN3OS/c1-5-16-12(2)10-17(25-16)19-22-21-18(24-19)11-23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,5,11H2,1-4H3
InChIKeyHLYUGNHKKICHGF-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.00
Rot. Bonds6

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

N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine (PubChem CID 18103377) has the molecular formula C19H22FN3OS and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine
PubChem CID18103377
Molecular FormulaC19H22FN3OS
Molecular Weight359.47 g/mol
Exact Mass359.15
IUPAC NameN-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine
SMILESCCc1sc(-c2nnc(CN(C)C(C)c3ccc(F)cc3)o2)cc1C
InChIInChI=1S/C19H22FN3OS/c1-5-16-12(2)10-17(25-16)19-22-21-18(24-19)11-23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,5,11H2,1-4H3
InChIKeyHLYUGNHKKICHGF-UHFFFAOYSA-N
XLogP5.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine 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-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine (CID 18103377) is N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine is CCc1sc(-c2nnc(CN(C)C(C)c3ccc(F)cc3)o2)cc1C.
What is the InChIKey of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is HLYUGNHKKICHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3OS/c1-5-16-12(2)10-17(25-16)19-22-21-18(24-19)11-23(4)13(3)14-6-8-15(20)9-7-14/h6-10,13H,5,11H2,1-4H3.
What are the key properties of N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine?
N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 359.47 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-ethyl-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 18103377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).