N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine

C11H21N3O — CID 63348667

IUPACN-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCCc1noc(C(C)C(C)NCC)n1
InChIInChI=1S/C11H21N3O/c1-5-7-10-13-11(15-14-10)8(3)9(4)12-6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyKFSWXCIXTNIEAB-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.12
Rot. Bonds6

About N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine

N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 63348667) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID63348667
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCCCc1noc(C(C)C(C)NCC)n1
InChIInChI=1S/C11H21N3O/c1-5-7-10-13-11(15-14-10)8(3)9(4)12-6-2/h8-9,12H,5-7H2,1-4H3
InChIKeyKFSWXCIXTNIEAB-UHFFFAOYSA-N
XLogP2.12
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352034
N-ethyl-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65093953
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347609
N,N-diethyl-5-[3-(ethylamino)butan-2-yl]-1,2,4-oxadiazol-3-amine
CID 116809052
3-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 63347742
N-ethyl-3-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66066723
3-[3-[(4-bromophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 66055344
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 63347961
1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63351206
N-ethyl-3-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 63348667) is N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine is CCCc1noc(C(C)C(C)NCC)n1.
What is the InChIKey of N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is KFSWXCIXTNIEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-7-10-13-11(15-14-10)8(3)9(4)12-6-2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 63348667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).