N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine

C13H23N3O2 — CID 103991092

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2noc(C)n2)CCO1
InChIInChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)18-16-13/h11-12,14H,3-9H2,1-2H3
InChIKeyITQVDPFFUJMTRJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine (PubChem CID 103991092) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine
PubChem CID103991092
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine
SMILESCCCC1CC(NCCc2noc(C)n2)CCO1
InChIInChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)18-16-13/h11-12,14H,3-9H2,1-2H3
InChIKeyITQVDPFFUJMTRJ-UHFFFAOYSA-N
XLogP1.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-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-cyclohexyl-2-[5-(2-propan-2-yloxyethyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 53612906
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
CID 97831640
5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride
CID 135260654
5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
CID 135260655
N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 43152036
1-[3-(Oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43171872
N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 54924448
2-methyl-N-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924495
3-(Piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 55060763
N-ethyl-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 55202046
N-ethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202990
N-ethyl-4-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55203181

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine (CID 103991092) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine is CCCC1CC(NCCc2noc(C)n2)CCO1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine?
The InChIKey is ITQVDPFFUJMTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-12-9-11(6-8-17-12)14-7-5-13-15-10(2)18-16-13/h11-12,14H,3-9H2,1-2H3.
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine is sourced from PubChem (CID 103991092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).