2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride

C12H16ClN3O2S — CID 119948005

IUPAC2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
SMILESCl.c1csc(Cc2noc(CC3CNCCO3)n2)c1
InChIInChI=1S/C12H15N3O2S.ClH/c1-2-10(18-5-1)7-11-14-12(17-15-11)6-9-8-13-3-4-16-9;/h1-2,5,9,13H,3-4,6-8H2;1H
InChIKeyKVAKARYEUPIWID-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.67
Rot. Bonds4

About 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride

2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride (PubChem CID 119948005) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
PubChem CID119948005
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
SMILESCl.c1csc(Cc2noc(CC3CNCCO3)n2)c1
InChIInChI=1S/C12H15N3O2S.ClH/c1-2-10(18-5-1)7-11-14-12(17-15-11)6-9-8-13-3-4-16-9;/h1-2,5,9,13H,3-4,6-8H2;1H
InChIKeyKVAKARYEUPIWID-UHFFFAOYSA-N
XLogP1.67
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 82788109
2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434620
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
5-(2-piperidin-4-ylethyl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502682
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
3-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 80518899
2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66433459
2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434616
N-methyl-2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483367
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
5-(2-piperidin-3-ylpropan-2-yl)-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 83197748

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride?
The IUPAC name of 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride (CID 119948005) is 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride.
What is the SMILES notation for 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride?
The canonical SMILES for 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride is Cl.c1csc(Cc2noc(CC3CNCCO3)n2)c1.
What is the InChIKey of 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride?
The InChIKey is KVAKARYEUPIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S.ClH/c1-2-10(18-5-1)7-11-14-12(17-15-11)6-9-8-13-3-4-16-9;/h1-2,5,9,13H,3-4,6-8H2;1H.
What are the key properties of 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride?
2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride is sourced from PubChem (CID 119948005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).