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

C7H13N3O — CID 82239541

IUPACN-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCNCC(C)c1ncno1
InChIInChI=1S/C7H13N3O/c1-3-8-4-6(2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyKJRPGAPFTUJPHW-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.78
Rot. Bonds4

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

N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 82239541) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID82239541
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCNCC(C)c1ncno1
InChIInChI=1S/C7H13N3O/c1-3-8-4-6(2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3
InChIKeyKJRPGAPFTUJPHW-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine
CID 9815409
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine; TFA
CID 9838581
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 71755598
2-(1,2,4-Oxadiazol-5-yl)ethan-1-amine
CID 28924762
5-(3-Ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
CID 44472513
5-(Azetidin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 46737147
5-(1,2,4-oxadiazol-5-yl)-5,6-dihydro-1H-pyrimidine-2-thione
CID 91248085
3-Propyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10104084
3-Propan-2-yl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 10750333
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine (CID 82239541) is N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine is CCNCC(C)c1ncno1.
What is the InChIKey of N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is KJRPGAPFTUJPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-8-4-6(2)7-9-5-10-11-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine?
N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 82239541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).