3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

C12H15N3O2S — CID 106474381

IUPAC3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1CCOCC1c1nc(Cc2cccs2)no1
InChIInChI=1S/C12H15N3O2S/c13-10-3-4-16-7-9(10)12-14-11(15-17-12)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7,13H2
InChIKeyZNWXHNABGKJDDW-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.55
Rot. Bonds3

About 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine

3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (PubChem CID 106474381) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.

Molecular Properties

Compound Name3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
PubChem CID106474381
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
SMILESNC1CCOCC1c1nc(Cc2cccs2)no1
InChIInChI=1S/C12H15N3O2S/c13-10-3-4-16-7-9(10)12-14-11(15-17-12)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7,13H2
InChIKeyZNWXHNABGKJDDW-UHFFFAOYSA-N
XLogP1.55
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2S,3R)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851427
5-[(2R,3S)-2-propan-2-yloxolan-3-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 124851426
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55201047
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55200857
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474109
3-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474611
3-[3-(3-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474675
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900

Frequently Asked Questions

What is the IUPAC name of 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The IUPAC name of 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine (CID 106474381) is 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine.
What is the SMILES notation for 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The canonical SMILES for 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is NC1CCOCC1c1nc(Cc2cccs2)no1.
What is the InChIKey of 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
The InChIKey is ZNWXHNABGKJDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-10-3-4-16-7-9(10)12-14-11(15-17-12)6-8-2-1-5-18-8/h1-2,5,9-10H,3-4,6-7,13H2.
What are the key properties of 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine?
3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine has a molecular weight of 265.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine is sourced from PubChem (CID 106474381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).