N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine

C11H19N3O2 — CID 106394026

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCc2ncon2)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-3-10-6-9(4-5-15-10)12-7-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3
InChIKeyAZYLMFNSKBDTBT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.51
Rot. Bonds5

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine

N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine (PubChem CID 106394026) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
PubChem CID106394026
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCc2ncon2)CCO1
InChIInChI=1S/C11H19N3O2/c1-2-3-10-6-9(4-5-15-10)12-7-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3
InChIKeyAZYLMFNSKBDTBT-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,6S)-N-butoxy-6-(1,2,4-oxadiazol-3-yl)piperidin-3-amine
CID 117845160
3-(2-Piperidin-2-ylethoxymethyl)-1,2,4-oxadiazole
CID 62341405
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-propyloxan-4-amine
CID 64101422
2-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]oxan-4-amine
CID 64101626
2-Ethyl-4-(1,2,4-oxadiazol-3-yl)oxan-4-amine
CID 64107580
4-(1,2,4-Oxadiazol-3-yl)-2-propyloxan-4-amine
CID 64107581
3-[1-(1,2,4-Oxadiazol-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79737522
(5-Methyloxolan-2-yl)-(1,2,4-oxadiazol-3-yl)methanamine
CID 82838209
N-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)cyclohexan-1-amine
CID 102633451
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyloxan-4-amine
CID 103991092
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-propyloxan-4-amine
CID 103991158
N-[[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 104248855

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine (CID 106394026) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine is CCCC1CC(NCc2ncon2)CCO1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine?
The InChIKey is AZYLMFNSKBDTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-3-10-6-9(4-5-15-10)12-7-11-13-8-16-14-11/h8-10,12H,2-7H2,1H3.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine has a molecular weight of 225.29 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-propyloxan-4-amine is sourced from PubChem (CID 106394026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).