1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

C7H13N3O — CID 43670441

IUPAC1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc(C(C)N)n1
InChIInChI=1S/C7H13N3O/c1-3-4-6-9-7(5(2)8)11-10-6/h5H,3-4,8H2,1-2H3
InChIKeyIRTRBCHYHFQLNX-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.04
Rot. Bonds3

About 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 43670441) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID43670441
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCCc1noc(C(C)N)n1
InChIInChI=1S/C7H13N3O/c1-3-4-6-9-7(5(2)8)11-10-6/h5H,3-4,8H2,1-2H3
InChIKeyIRTRBCHYHFQLNX-UHFFFAOYSA-N
XLogP1.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93258995
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
(1S)-1-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanamine;methane
CID 162061576
ethyl 2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
CID 79020555
5-(1-bromopropyl)-3-propyl-1,2,4-oxadiazole
CID 62854731
2-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 119027578
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348667
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 43670441) is 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is CCCc1noc(C(C)N)n1.
What is the InChIKey of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is IRTRBCHYHFQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-6-9-7(5(2)8)11-10-6/h5H,3-4,8H2,1-2H3.
What are the key properties of 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine?
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 155.20 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 43670441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).