N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

C13H24N4O2 — CID 79085496

IUPACN-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(C2CN(C)CCO2)no1)C(C)NC
InChIInChI=1S/C13H24N4O2/c1-5-10(9(2)14-3)13-15-12(16-19-13)11-8-17(4)6-7-18-11/h9-11,14H,5-8H2,1-4H3
InChIKeyXZJYTUDEBSGBSA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.17
Rot. Bonds5

About N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine

N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 79085496) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID79085496
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCC(c1nc(C2CN(C)CCO2)no1)C(C)NC
InChIInChI=1S/C13H24N4O2/c1-5-10(9(2)14-3)13-15-12(16-19-13)11-8-17(4)6-7-18-11/h9-11,14H,5-8H2,1-4H3
InChIKeyXZJYTUDEBSGBSA-UHFFFAOYSA-N
XLogP1.17
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 79667234
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79077645
N-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115998544
3-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 114016428
(1R)-2,2-dimethyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899550
N-methyl-3-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116809271
4-methoxy-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 81086229
3-methyl-1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 79085494
1-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 79071714
(1S)-1-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915391
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79658044
2-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 79669363

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 79085496) is N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCC(c1nc(C2CN(C)CCO2)no1)C(C)NC.
What is the InChIKey of N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is XZJYTUDEBSGBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-10(9(2)14-3)13-15-12(16-19-13)11-8-17(4)6-7-18-11/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 268.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 79085496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).