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

C11H13N3O2S — CID 81124681

IUPACN-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccsc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C11H13N3O2S/c1-15-8-4-5-17-10(8)11-14-13-9(16-11)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyLBIKHUYSQVIADU-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.06
Rot. Bonds5

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

N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (PubChem CID 81124681) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
PubChem CID81124681
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
SMILESCOc1ccsc1-c1nnc(CNC2CC2)o1
InChIInChI=1S/C11H13N3O2S/c1-15-8-4-5-17-10(8)11-14-13-9(16-11)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3
InChIKeyLBIKHUYSQVIADU-UHFFFAOYSA-N
XLogP2.06
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 80641417
N-ethyl-3-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81124151
N-[[5-(5-methylfuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62137768
N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 110456182
N-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 60702922
N-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 55021274
1-[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 81124684
N-[[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 62139251
5-[5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-yl]-2-methoxyphenol
CID 79733045
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 80641183
N-[[5-(2,4,5-trimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 65152251

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine (CID 81124681) is N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is COc1ccsc1-c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
The InChIKey is LBIKHUYSQVIADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-15-8-4-5-17-10(8)11-14-13-9(16-11)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine?
N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine has a molecular weight of 251.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 81124681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).