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

C11H19N3O2 — CID 106396763

IUPAC2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
SMILESCCC1CC(NCCc2ncon2)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-10-7-9(4-6-15-10)12-5-3-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3
InChIKeyCZXCTNXYPGSULV-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds5

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

2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine (PubChem CID 106396763) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
PubChem CID106396763
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine
SMILESCCC1CC(NCCc2ncon2)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-10-7-9(4-6-15-10)12-5-3-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3
InChIKeyCZXCTNXYPGSULV-UHFFFAOYSA-N
XLogP1.16
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]oxan-4-amine
CID 80683143
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
CID 106394026
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]oxan-4-amine
CID 106395238
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutanamine
CID 106396081
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
CID 106396755
3-(4-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396530
2,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106395561
2,5-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclohexan-1-amine
CID 106396253
2-ethyl-N-pent-3-ynyloxan-4-amine
CID 116642789
3-(3-methylphenyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]cyclobutan-1-amine
CID 106396532
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
2-methyl-1-(1,2,4-oxadiazol-3-ylmethyl)-N-propylpiperidin-4-amine
CID 114184173

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine (CID 106396763) is 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine is CCC1CC(NCCc2ncon2)CCO1.
What is the InChIKey of 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine?
The InChIKey is CZXCTNXYPGSULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-10-7-9(4-6-15-10)12-5-3-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3.
What are the key properties of 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine?
2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine has a molecular weight of 225.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 106396763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).