N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine

C7H13N3O — CID 106395589

IUPACN-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncon1
InChIInChI=1S/C7H13N3O/c1-2-4-8-5-3-7-9-6-11-10-7/h6,8H,2-5H2,1H3
InChIKeyDQLIWQHYLTYEDF-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.61
Rot. Bonds5

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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (PubChem CID 106395589) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
PubChem CID106395589
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ncon1
InChIInChI=1S/C7H13N3O/c1-2-4-8-5-3-7-9-6-11-10-7/h6,8H,2-5H2,1H3
InChIKeyDQLIWQHYLTYEDF-UHFFFAOYSA-N
XLogP0.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106401056
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
CID 106396000
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylurea
CID 106395850
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
N-benzyl-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396500
2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412170
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine (CID 106395589) is N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine is CCCNCCc1ncon1.
What is the InChIKey of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
The InChIKey is DQLIWQHYLTYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-2-4-8-5-3-7-9-6-11-10-7/h6,8H,2-5H2,1H3.
What are the key properties of N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine?
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine has a molecular weight of 155.20 g/mol, XLogP of 0.61, 5 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-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106395589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).