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

C11H17N3O2 — CID 65329990

IUPACN-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESC(Cc1nc(C2CCOC2)no1)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-9(1)12-5-3-10-13-11(14-16-10)8-4-6-15-7-8/h8-9,12H,1-7H2
InChIKeyMFAQHKOGFKXSFT-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.87
Rot. Bonds5

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

N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (PubChem CID 65329990) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
PubChem CID65329990
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
SMILESC(Cc1nc(C2CCOC2)no1)NC1CC1
InChIInChI=1S/C11H17N3O2/c1-2-9(1)12-5-3-10-13-11(14-16-10)8-4-6-15-7-8/h8-9,12H,1-7H2
InChIKeyMFAQHKOGFKXSFT-UHFFFAOYSA-N
XLogP0.87
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
N-[2-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 114215246
N-[3-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 97437505
3-(oxolan-3-yl)-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842339
4-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 97444140
N-[2-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 65409383
3-[2-[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]ethyl]-4,5-dihydro-1H-pyridazin-6-one
CID 97434115
5-[3-(azepan-1-yl)propyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97434091
3-[(3S)-oxolan-3-yl]-5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazole
CID 97444905
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine (CID 65329990) is N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is C(Cc1nc(C2CCOC2)no1)NC1CC1.
What is the InChIKey of N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
The InChIKey is MFAQHKOGFKXSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9(1)12-5-3-10-13-11(14-16-10)8-4-6-15-7-8/h8-9,12H,1-7H2.
What are the key properties of N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine?
N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine has a molecular weight of 223.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 65329990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).