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

C14H25N3O2 — CID 65333945

IUPAC4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C2CCCOC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-8-15-11(2)6-7-13-16-14(17-19-13)12-5-4-9-18-10-12/h11-12,15H,3-10H2,1-2H3
InChIKeyIPWKPBNIAFPALE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.28
Rot. Bonds7

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

4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (PubChem CID 65333945) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
PubChem CID65333945
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1nc(C2CCCOC2)no1
InChIInChI=1S/C14H25N3O2/c1-3-8-15-11(2)6-7-13-16-14(17-19-13)12-5-4-9-18-10-12/h11-12,15H,3-10H2,1-2H3
InChIKeyIPWKPBNIAFPALE-UHFFFAOYSA-N
XLogP2.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[1-cyclopropyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-1-amine
CID 65334140
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylbutan-2-amine
CID 65425572
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524881
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65333430
N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330259
N-ethyl-4-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65400186
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 79966386
3-methyl-5-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65329879
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 63347865

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The IUPAC name of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine (CID 65333945) is 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine.
What is the SMILES notation for 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The canonical SMILES for 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is CCCNC(C)CCc1nc(C2CCCOC2)no1.
What is the InChIKey of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
The InChIKey is IPWKPBNIAFPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-8-15-11(2)6-7-13-16-14(17-19-13)12-5-4-9-18-10-12/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine?
4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine has a molecular weight of 267.37 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 4-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine is sourced from PubChem (CID 65333945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).