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

C16H17N3O2S — CID 50954177

IUPACN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccsc1CN(Cc1nc(-c2ccco2)no1)C1CC1
InChIInChI=1S/C16H17N3O2S/c1-11-6-8-22-14(11)9-19(12-4-5-12)10-15-17-16(18-21-15)13-3-2-7-20-13/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyZNCPIBVNZBVLDG-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.86
Rot. Bonds6

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

N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine (PubChem CID 50954177) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
PubChem CID50954177
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine
SMILESCc1ccsc1CN(Cc1nc(-c2ccco2)no1)C1CC1
InChIInChI=1S/C16H17N3O2S/c1-11-6-8-22-14(11)9-19(12-4-5-12)10-15-17-16(18-21-15)13-3-2-7-20-13/h2-3,6-8,12H,4-5,9-10H2,1H3
InChIKeyZNCPIBVNZBVLDG-UHFFFAOYSA-N
XLogP3.86
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
N-ethyl-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 66184076
N-(thiophen-3-ylmethyl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 71884001
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 134019576
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
4-[cyclopropyl-[(3-methylthiophen-2-yl)methyl]amino]butan-1-ol
CID 115882968
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 95131588
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-(2-hydroxyethyl)amino]propan-1-ol
CID 111112532
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
(4aR,6R,7aR)-6-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one
CID 135102722
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-3-carbonitrile
CID 106524503

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine (CID 50954177) is N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine is Cc1ccsc1CN(Cc1nc(-c2ccco2)no1)C1CC1.
What is the InChIKey of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine?
The InChIKey is ZNCPIBVNZBVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-6-8-22-14(11)9-19(12-4-5-12)10-15-17-16(18-21-15)13-3-2-7-20-13/h2-3,6-8,12H,4-5,9-10H2,1H3.
What are the key properties of N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine?
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine has a molecular weight of 315.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylthiophen-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 50954177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).