N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C20H22FN3OS — CID 56549190

IUPACN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(-c2noc(CCCN(Cc3ccsc3)C3CC3)n2)cc1F
InChIInChI=1S/C20H22FN3OS/c1-14-4-5-16(11-18(14)21)20-22-19(25-23-20)3-2-9-24(17-6-7-17)12-15-8-10-26-13-15/h4-5,8,10-11,13,17H,2-3,6-7,9,12H2,1H3
InChIKeyZRLLWFLCLULORR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.84
Rot. Bonds8

About N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 56549190) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID56549190
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC NameN-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESCc1ccc(-c2noc(CCCN(Cc3ccsc3)C3CC3)n2)cc1F
InChIInChI=1S/C20H22FN3OS/c1-14-4-5-16(11-18(14)21)20-22-19(25-23-20)3-2-9-24(17-6-7-17)12-15-8-10-26-13-15/h4-5,8,10-11,13,17H,2-3,6-7,9,12H2,1H3
InChIKeyZRLLWFLCLULORR-UHFFFAOYSA-N
XLogP4.84
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-propan-2-ylcyclopentanamine
CID 56569879
2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
CID 111102002
1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]-2-methylpropan-2-ol
CID 111336146
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 71884001
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 61273245
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63349162
N-(3-aminopropyl)-N-benzyl-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 120648092
1-cyclopropyl-2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 55200681
1-[3-(dimethylamino)azetidin-1-yl]-3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 75394626
3-[(2S)-1-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-yl]propan-1-ol
CID 95353156
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
N'-cyclopropyl-N-phenyl-N'-(thiophen-3-ylmethyl)propane-1,3-diamine
CID 62563786

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 56549190) is N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Cc1ccc(-c2noc(CCCN(Cc3ccsc3)C3CC3)n2)cc1F.
What is the InChIKey of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is ZRLLWFLCLULORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-14-4-5-16(11-18(14)21)20-22-19(25-23-20)3-2-9-24(17-6-7-17)12-15-8-10-26-13-15/h4-5,8,10-11,13,17H,2-3,6-7,9,12H2,1H3.
What are the key properties of N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 371.48 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 56549190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).