4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine

C13H21N3O3 — CID 66253458

IUPAC4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C13H21N3O3/c1-2-5-14-10-8-17-7-9(10)13-15-12(16-19-13)11-4-3-6-18-11/h9-11,14H,2-8H2,1H3
InChIKeyPUZPXNAGNVVFIA-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.40
Rot. Bonds5

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

4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (PubChem CID 66253458) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
PubChem CID66253458
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
SMILESCCCNC1COCC1c1nc(C2CCCO2)no1
InChIInChI=1S/C13H21N3O3/c1-2-5-14-10-8-17-7-9(10)13-15-12(16-19-13)11-4-3-6-18-11/h9-11,14H,2-8H2,1H3
InChIKeyPUZPXNAGNVVFIA-UHFFFAOYSA-N
XLogP1.40
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66246873
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66266076
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605
N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
4-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)-N-propyloxolan-3-amine
CID 116807168
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66251331
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252493
N-propyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66252880
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253070
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252881

Frequently Asked Questions

What is the IUPAC name of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The IUPAC name of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine (CID 66253458) is 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The canonical SMILES for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is CCCNC1COCC1c1nc(C2CCCO2)no1.
What is the InChIKey of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
The InChIKey is PUZPXNAGNVVFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-5-14-10-8-17-7-9(10)13-15-12(16-19-13)11-4-3-6-18-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine?
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine has a molecular weight of 267.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine is sourced from PubChem (CID 66253458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).