N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

C18H17F2N3O2S — CID 78850653

IUPACN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESFC(F)Oc1ccccc1-c1noc(CN(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C18H17F2N3O2S/c19-18(20)24-15-6-2-1-5-14(15)17-21-16(25-22-17)11-23(12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12,18H,7-8,10-11H2
InChIKeyCWGIAAPJGAGBIU-UHFFFAOYSA-N
MW377.42 g/mol
LogP4.56
Rot. Bonds8

About N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine

N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (PubChem CID 78850653) has the molecular formula C18H17F2N3O2S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
PubChem CID78850653
Molecular FormulaC18H17F2N3O2S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
SMILESFC(F)Oc1ccccc1-c1noc(CN(Cc2cccs2)C2CC2)n1
InChIInChI=1S/C18H17F2N3O2S/c19-18(20)24-15-6-2-1-5-14(15)17-21-16(25-22-17)11-23(12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12,18H,7-8,10-11H2
InChIKeyCWGIAAPJGAGBIU-UHFFFAOYSA-N
XLogP4.56
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopropanamine
CID 78899478
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(oxolan-3-ylmethyl)ethanamine
CID 78899357
1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-ol
CID 78815383
2-[[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-(oxolan-2-ylmethyl)amino]methyl]phenol
CID 78821365
1-(4-bromophenyl)-N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 78815340
3-[2-(difluoromethoxy)phenyl]-5-[(4-phenylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 78845832
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 71884001
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-3-fluoroaniline
CID 78902293
3-[2-(difluoromethoxy)phenyl]-5-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methyl]-1,2,4-oxadiazole
CID 78817560
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 78816833
4-[1-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]ethyl]benzenesulfonamide
CID 78815560
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxo-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 51941332

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine (CID 78850653) is N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is FC(F)Oc1ccccc1-c1noc(CN(Cc2cccs2)C2CC2)n1.
What is the InChIKey of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
The InChIKey is CWGIAAPJGAGBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2S/c19-18(20)24-15-6-2-1-5-14(15)17-21-16(25-22-17)11-23(12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12,18H,7-8,10-11H2.
What are the key properties of N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine?
N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine has a molecular weight of 377.42 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(difluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 78850653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).