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

C11H20N4O2 — CID 116807415

IUPAC2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H20N4O2/c1-11(2,12)4-3-9-13-10(14-17-9)15-5-7-16-8-6-15/h3-8,12H2,1-2H3
InChIKeyNNWWMFLTQFQQTL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.58
Rot. Bonds4

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

2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (PubChem CID 116807415) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
PubChem CID116807415
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
SMILESCC(C)(N)CCc1nc(N2CCOCC2)no1
InChIInChI=1S/C11H20N4O2/c1-11(2,12)4-3-9-13-10(14-17-9)15-5-7-16-8-6-15/h3-8,12H2,1-2H3
InChIKeyNNWWMFLTQFQQTL-UHFFFAOYSA-N
XLogP0.58
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
N-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 116809224
4-methyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 116808797
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
3-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butanenitrile
CID 106527504
4-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 116807402
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
(1S)-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 104915585
2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806716
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The IUPAC name of 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine (CID 116807415) is 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine.
What is the SMILES notation for 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The canonical SMILES for 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is CC(C)(N)CCc1nc(N2CCOCC2)no1.
What is the InChIKey of 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
The InChIKey is NNWWMFLTQFQQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,12)4-3-9-13-10(14-17-9)15-5-7-16-8-6-15/h3-8,12H2,1-2H3.
What are the key properties of 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine?
2-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 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine is sourced from PubChem (CID 116807415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).