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

C13H23N3O2 — CID 55124164

IUPAC1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-3-8-14-10(4-2)12-15-16-13(18-12)11-7-5-6-9-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyOGQPNPARSBWTPA-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.76
Rot. Bonds6

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

1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (PubChem CID 55124164) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
PubChem CID55124164
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nnc(C2CCCCO2)o1
InChIInChI=1S/C13H23N3O2/c1-3-8-14-10(4-2)12-15-16-13(18-12)11-7-5-6-9-17-11/h10-11,14H,3-9H2,1-2H3
InChIKeyOGQPNPARSBWTPA-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl}piperidine hydrochloride
CID 119031515
2-[(2R)-piperidin-2-yl]-5-(trifluoromethoxymethyl)-1,3,4-oxadiazole
CID 175746312
2-{5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazol-2-yl}piperidine
CID 119031516
2-(Methoxymethyl)-5-piperidin-2-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 171688139
2-Methyl-5-(piperidin-2-yl)-1,3,4-oxadiazole
CID 66509663
(S)-2-methyl-5-(piperidin-2-yl)-1,3,4-oxadiazole
CID 86314640
3-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55048095
N-[1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55048096
2-methyl-N-[2-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 55048097
1-(5-pentyl-1,3,4-oxadiazol-2-yl)-N-propylpropan-1-amine
CID 55124214
1-[5-(1,4-dioxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55124311
N-ethyl-1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55124494

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine (CID 55124164) is 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1nnc(C2CCCCO2)o1.
What is the InChIKey of 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
The InChIKey is OGQPNPARSBWTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-8-14-10(4-2)12-15-16-13(18-12)11-7-5-6-9-17-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine?
1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 55124164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).