N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

C11H20N4O2 — CID 116809224

IUPACN-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCNC(C)CCc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H20N4O2/c1-9(12-2)3-4-10-13-11(14-17-10)15-5-7-16-8-6-15/h9,12H,3-8H2,1-2H3
InChIKeyMDCLPSXIVSQACL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.45
Rot. Bonds5

About N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine

N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 116809224) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID116809224
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCNC(C)CCc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H20N4O2/c1-9(12-2)3-4-10-13-11(14-17-10)15-5-7-16-8-6-15/h9,12H,3-8H2,1-2H3
InChIKeyMDCLPSXIVSQACL-UHFFFAOYSA-N
XLogP0.45
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809121
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116807415
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-1-phenylethanamine
CID 116809245
2-methyl-4-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116806750
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
3-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)-N-propylbutan-2-amine
CID 116809221
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 116809224) is N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CNC(C)CCc1nc(N2CCOCC2)no1.
What is the InChIKey of N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is MDCLPSXIVSQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-9(12-2)3-4-10-13-11(14-17-10)15-5-7-16-8-6-15/h9,12H,3-8H2,1-2H3.
What are the key properties of N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine has a molecular weight of 240.31 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 116809224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).