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

C13H23N3O2 — CID 62905353

IUPAC1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C13H23N3O2/c1-3-7-14-11(4-2)13-16-15-12(18-13)10-5-8-17-9-6-10/h10-11,14H,3-9H2,1-2H3
InChIKeyDUTXLODEFRGIIA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.41
Rot. Bonds6

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

1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 62905353) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID62905353
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCOCC2)o1
InChIInChI=1S/C13H23N3O2/c1-3-7-14-11(4-2)13-16-15-12(18-13)10-5-8-17-9-6-10/h10-11,14H,3-9H2,1-2H3
InChIKeyDUTXLODEFRGIIA-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62904834
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62859118
1-[5-(2-methyloxolan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 79762476
N-methyl-1-[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62859100
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
1-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857634
1-(5-octyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 65427378
2-[(1S)-1-(2-methylphenoxy)propyl]-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 164634348
2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 62856349
ethane;2-methyl-5-(oxan-4-yl)-1,3,4-oxadiazole
CID 144584671
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
N-propyl-1-[5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857122

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 62905353) is 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(C2CCOCC2)o1.
What is the InChIKey of 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is DUTXLODEFRGIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-7-14-11(4-2)13-16-15-12(18-13)10-5-8-17-9-6-10/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62905353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).