N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine

C7H13N3O — CID 82238033

IUPACN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ncno1
InChIInChI=1S/C7H13N3O/c1-6(2)8-4-3-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCTTRGWAMHKFZDV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds4

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

N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (PubChem CID 82238033) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
PubChem CID82238033
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1ncno1
InChIInChI=1S/C7H13N3O/c1-6(2)8-4-3-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyCTTRGWAMHKFZDV-UHFFFAOYSA-N
XLogP0.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
1-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 165742600
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
1-(1,2,4-Oxadiazol-5-yl)ethanamine
CID 71432915
2,2,3,3-tetrafluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103744046
2,2,2-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744050
1-[2-(1,2,4-Oxadiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 103744177
1,1-difluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 106394517
6,6,6-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]hexan-2-amine
CID 106395177
N-(2-fluoroethyl)-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399628
3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 106399666
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106399678

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine (CID 82238033) is N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1ncno1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is CTTRGWAMHKFZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(2)8-4-3-7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine?
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 155.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82238033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).