4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

C12H21N3O2 — CID 75484011

IUPAC4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc(C2COCCN2CCC(C)C)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)4-5-15-6-7-16-8-11(15)12-13-10(3)17-14-12/h9,11H,4-8H2,1-3H3
InChIKeyFYWJKFOZZMGQSS-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.80
Rot. Bonds4

About 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine

4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 75484011) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID75484011
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCc1nc(C2COCCN2CCC(C)C)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)4-5-15-6-7-16-8-11(15)12-13-10(3)17-14-12/h9,11H,4-8H2,1-3H3
InChIKeyFYWJKFOZZMGQSS-UHFFFAOYSA-N
XLogP1.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-{1-[(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-piperidinyl}ethyl)morpholine
CID 16190207
2-(Morpholin-4-yl)-1-(4-{[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperazin-1-yl)ethan-1-one
CID 47070099
4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45806304
2-[4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 45807995
3-Methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 45813892
3-Methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 45813893
4-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylmorpholine
CID 45814191
3-Methyl-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 45814192
5-[(4-Ethylpiperazin-1-yl)methyl]-3-(2-methylpropyl)-1,2,4-oxadiazole
CID 47020900
2-[4-[[3-(2-Methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanol
CID 47020907
2,6-Dimethyl-4-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine
CID 47022607
5-[[4-(3-Methylbutyl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47039404

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine (CID 75484011) is 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is Cc1nc(C2COCCN2CCC(C)C)no1.
What is the InChIKey of 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is FYWJKFOZZMGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)4-5-15-6-7-16-8-11(15)12-13-10(3)17-14-12/h9,11H,4-8H2,1-3H3.
What are the key properties of 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine?
4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 239.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 75484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).