N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

C18H20FN3OS — CID 42923902

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(c1ccc(F)cc1)N(C)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H20FN3OS/c1-13(14-7-9-15(19)10-8-14)22(2)11-3-6-17-20-18(21-23-17)16-5-4-12-24-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeyVPAVAVINIUKVBX-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.56
Rot. Bonds7

About N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine

N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 42923902) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID42923902
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCC(c1ccc(F)cc1)N(C)CCCc1nc(-c2cccs2)no1
InChIInChI=1S/C18H20FN3OS/c1-13(14-7-9-15(19)10-8-14)22(2)11-3-6-17-20-18(21-23-17)16-5-4-12-24-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3
InChIKeyVPAVAVINIUKVBX-UHFFFAOYSA-N
XLogP4.56
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]cyclopropanamine
CID 60504043
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 60559206
N-ethyl-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347277
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
2-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
CID 110354848
N-methyl-N-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1H-inden-1-amine
CID 134052194
1-phenyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 60837559
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
1-[4-[[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 86895118
N-methyl-N-(2-methylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134058828
1-[1-(4-fluorophenyl)pyrazol-4-yl]-N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 28955690

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 42923902) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is CC(c1ccc(F)cc1)N(C)CCCc1nc(-c2cccs2)no1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is VPAVAVINIUKVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-13(14-7-9-15(19)10-8-14)22(2)11-3-6-17-20-18(21-23-17)16-5-4-12-24-16/h4-5,7-10,12-13H,3,6,11H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 345.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 42923902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).