2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine

C12H23N3O2 — CID 55220796

IUPAC2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(COC)no1
InChIInChI=1S/C12H23N3O2/c1-5-7-13-10(6-2)9(3)12-14-11(8-16-4)15-17-12/h9-10,13H,5-8H2,1-4H3
InChIKeyKMZJJNAEDKVRPX-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.10
Rot. Bonds8

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

2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (PubChem CID 55220796) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
PubChem CID55220796
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)c1nc(COC)no1
InChIInChI=1S/C12H23N3O2/c1-5-7-13-10(6-2)9(3)12-14-11(8-16-4)15-17-12/h9-10,13H,5-8H2,1-4H3
InChIKeyKMZJJNAEDKVRPX-UHFFFAOYSA-N
XLogP2.10
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103476863
2-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 64533435
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylpentan-3-amine
CID 63559519
3-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350881
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 63350604
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94241265
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 116733496
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 63560287
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 79412396
1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349469
5-(1-bromoethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 70538358
(1S)-1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263590

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The IUPAC name of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine (CID 55220796) is 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The canonical SMILES for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is CCCNC(CC)C(C)c1nc(COC)no1.
What is the InChIKey of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
The InChIKey is KMZJJNAEDKVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-7-13-10(6-2)9(3)12-14-11(8-16-4)15-17-12/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine?
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine has a molecular weight of 241.33 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine is sourced from PubChem (CID 55220796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).