N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine

C11H19N3O2 — CID 112603888

IUPACN-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)OCc1nnc(CCNC2CC2)o1
InChIInChI=1S/C11H19N3O2/c1-8(2)15-7-11-14-13-10(16-11)5-6-12-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyJSHUTBNUWJFPLG-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds7

About N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine

N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 112603888) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID112603888
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESCC(C)OCc1nnc(CCNC2CC2)o1
InChIInChI=1S/C11H19N3O2/c1-8(2)15-7-11-14-13-10(16-11)5-6-12-9-3-4-9/h8-9,12H,3-7H2,1-2H3
InChIKeyJSHUTBNUWJFPLG-UHFFFAOYSA-N
XLogP1.29
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclopropanamine
CID 62162767
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
N-[3-[5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 63834383
[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 112603839
N-[[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 112603853
N-[2-[5-(1,1,2,2-tetrafluoroethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 104632969
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62214456
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
N-[3-(5-pentan-3-yl-1,3,4-oxadiazol-2-yl)propyl]cyclopropanamine
CID 62137109
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62163473

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 112603888) is N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is CC(C)OCc1nnc(CCNC2CC2)o1.
What is the InChIKey of N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is JSHUTBNUWJFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)15-7-11-14-13-10(16-11)5-6-12-9-3-4-9/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 225.29 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(propan-2-yloxymethyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 112603888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).