N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

C15H25N3O2 — CID 65334140

IUPACN-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C2CCCOC2)no1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-2-7-16-13(11-5-6-11)9-14-17-15(18-20-14)12-4-3-8-19-10-12/h11-13,16H,2-10H2,1H3
InChIKeyPSLSDONVTHXZQG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.28
Rot. Bonds7

About N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine

N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (PubChem CID 65334140) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
PubChem CID65334140
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(Cc1nc(C2CCCOC2)no1)C1CC1
InChIInChI=1S/C15H25N3O2/c1-2-7-16-13(11-5-6-11)9-14-17-15(18-20-14)12-4-3-8-19-10-12/h11-13,16H,2-10H2,1H3
InChIKeyPSLSDONVTHXZQG-UHFFFAOYSA-N
XLogP2.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine with MolForge

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Related Compounds

4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65333945
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 65332325
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
1-cyclopropyl-N-ethyl-2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63350007
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpropan-2-amine
CID 65401399
N-[1-cyclopropyl-2-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733230
3-methyl-4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65332440
N-[1-cyclopropyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 63350636
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
N-[1-cyclopropyl-2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 116733456
N-[1-cyclopropyl-2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 64535658
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-methyl-N-propylbutan-2-amine
CID 63347774

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine (CID 65334140) is N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is CCCNC(Cc1nc(C2CCCOC2)no1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is PSLSDONVTHXZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-7-16-13(11-5-6-11)9-14-17-15(18-20-14)12-4-3-8-19-10-12/h11-13,16H,2-10H2,1H3.
What are the key properties of N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine?
N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 279.38 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 65334140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).