4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol

C14H19N3O3S — CID 114952768

IUPAC4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
SMILESCN(Cc1noc(-c2ccsc2)n1)CC1(O)CCOCC1
InChIInChI=1S/C14H19N3O3S/c1-17(10-14(18)3-5-19-6-4-14)8-12-15-13(20-16-12)11-2-7-21-9-11/h2,7,9,18H,3-6,8,10H2,1H3
InChIKeyOBNBHFCKJSOKIK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.77
Rot. Bonds5

About 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol

4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol (PubChem CID 114952768) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
PubChem CID114952768
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol
SMILESCN(Cc1noc(-c2ccsc2)n1)CC1(O)CCOCC1
InChIInChI=1S/C14H19N3O3S/c1-17(10-14(18)3-5-19-6-4-14)8-12-15-13(20-16-12)11-2-7-21-9-11/h2,7,9,18H,3-6,8,10H2,1H3
InChIKeyOBNBHFCKJSOKIK-UHFFFAOYSA-N
XLogP1.77
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

2-[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]cyclohexan-1-ol
CID 102636569
methyl 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoate
CID 75384594
N-butyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 112815205
(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 47002355
2-[propyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 60775128
2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 61334504
1-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-2-ol
CID 111103333
N-benzyl-1-phenyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 112812417
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
N-propyl-N-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-amine
CID 66215907
2-[cyclohexyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 62016020

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol (CID 114952768) is 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol is CN(Cc1noc(-c2ccsc2)n1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol?
The InChIKey is OBNBHFCKJSOKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-17(10-14(18)3-5-19-6-4-14)8-12-15-13(20-16-12)11-2-7-21-9-11/h2,7,9,18H,3-6,8,10H2,1H3.
What are the key properties of 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol?
4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol has a molecular weight of 309.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114952768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).