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

C14H26N4OS — CID 103594721

IUPAC4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC(C)CC(CN)Cc1nc(C2CSCCN2C)no1
InChIInChI=1S/C14H26N4OS/c1-10(2)6-11(8-15)7-13-16-14(17-19-13)12-9-20-5-4-18(12)3/h10-12H,4-9,15H2,1-3H3
InChIKeyBALRVMNOZXHGDS-UHFFFAOYSA-N
MW298.46 g/mol
LogP1.95
Rot. Bonds6

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

4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (PubChem CID 103594721) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
PubChem CID103594721
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine
SMILESCC(C)CC(CN)Cc1nc(C2CSCCN2C)no1
InChIInChI=1S/C14H26N4OS/c1-10(2)6-11(8-15)7-13-16-14(17-19-13)12-9-20-5-4-18(12)3/h10-12H,4-9,15H2,1-3H3
InChIKeyBALRVMNOZXHGDS-UHFFFAOYSA-N
XLogP1.95
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine with MolForge

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Related Compounds

(2S)-2-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916155
4,4-dimethyl-1-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103594805
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 106446045
3-(4-methylthiomorpholin-3-yl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 106445899
N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103594674
2-[[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073059
4-methyl-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106446091
2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 106446131
1-methoxy-3-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 106446024
N-methyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 106446088
4-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527981
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine (CID 103594721) is 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is CC(C)CC(CN)Cc1nc(C2CSCCN2C)no1.
What is the InChIKey of 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
The InChIKey is BALRVMNOZXHGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-10(2)6-11(8-15)7-13-16-14(17-19-13)12-9-20-5-4-18(12)3/h10-12H,4-9,15H2,1-3H3.
What are the key properties of 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine?
4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine has a molecular weight of 298.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pentan-1-amine is sourced from PubChem (CID 103594721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).