[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol

C14H19N3O3S — CID 114779830

IUPAC[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2noc(-c3cccs3)n2)CC(CO)O1
InChIInChI=1S/C14H19N3O3S/c1-14(2)9-17(6-10(8-18)19-14)7-12-15-13(20-16-12)11-4-3-5-21-11/h3-5,10,18H,6-9H2,1-2H3
InChIKeyLLJZAPOECQSVQK-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.77
Rot. Bonds4

About [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol

[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol (PubChem CID 114779830) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol
PubChem CID114779830
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2noc(-c3cccs3)n2)CC(CO)O1
InChIInChI=1S/C14H19N3O3S/c1-14(2)9-17(6-10(8-18)19-14)7-12-15-13(20-16-12)11-4-3-5-21-11/h3-5,10,18H,6-9H2,1-2H3
InChIKeyLLJZAPOECQSVQK-UHFFFAOYSA-N
XLogP1.77
TPSA71.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
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 [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol with MolForge

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Related Compounds

1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
methyl 4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazine-1-carboxylate
CID 47054237
3-[(2,5-dimethylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 64980601
[6,6-dimethyl-4-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]morpholin-2-yl]methanol
CID 114780154
[4-(1H-benzimidazol-2-ylmethyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779827
1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4,5,6,7-tetrahydroindazol-6-ol
CID 139011853
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
2-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]triazol-4-yl]ethanol
CID 55067381
3-methyl-1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 107072602
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
[4-[(1-ethylpyrazol-4-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779993
3-[(4-nitropyrazol-1-yl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 52619765

Frequently Asked Questions

What is the IUPAC name of [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol (CID 114779830) is [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol is CC1(C)CN(Cc2noc(-c3cccs3)n2)CC(CO)O1.
What is the InChIKey of [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol?
The InChIKey is LLJZAPOECQSVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-14(2)9-17(6-10(8-18)19-14)7-12-15-13(20-16-12)11-4-3-5-21-11/h3-5,10,18H,6-9H2,1-2H3.
What are the key properties of [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol?
[6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol has a molecular weight of 309.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6-dimethyl-4-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114779830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).