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

C12H19N3O2 — CID 62214456

IUPACN-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESC1CCC(c2nnc(CCNC3CC3)o2)OC1
InChIInChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-15-14-11(17-12)6-7-13-9-4-5-9/h9-10,13H,1-8H2
InChIKeyXPDUKFFMKQLMNC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds5

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

N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 62214456) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID62214456
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESC1CCC(c2nnc(CCNC3CC3)o2)OC1
InChIInChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-15-14-11(17-12)6-7-13-9-4-5-9/h9-10,13H,1-8H2
InChIKeyXPDUKFFMKQLMNC-UHFFFAOYSA-N
XLogP1.61
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 62214456) is N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is C1CCC(c2nnc(CCNC3CC3)o2)OC1.
What is the InChIKey of N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is XPDUKFFMKQLMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-8-16-10(3-1)12-15-14-11(17-12)6-7-13-9-4-5-9/h9-10,13H,1-8H2.
What are the key properties of N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 237.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62214456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).