5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

C14H18N4OS — CID 136570102

IUPAC5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CN3CCCC34CCNC4)n2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-14(4-5-15-10-14)18(6-1)8-12-16-13(17-19-12)11-2-7-20-9-11/h2,7,9,15H,1,3-6,8,10H2
InChIKeySYQMMFLVAVXOGP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.13
Rot. Bonds3

About 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 136570102) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID136570102
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1cc(-c2noc(CN3CCCC34CCNC4)n2)cs1
InChIInChI=1S/C14H18N4OS/c1-3-14(4-5-15-10-14)18(6-1)8-12-16-13(17-19-12)11-2-7-20-9-11/h2,7,9,15H,1,3-6,8,10H2
InChIKeySYQMMFLVAVXOGP-UHFFFAOYSA-N
XLogP2.13
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 136570099
3-(1,3-benzodioxol-5-yl)-5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-1,2,4-oxadiazole
CID 136570104
5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119933216
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 104975556
5-[(2-methylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119916365
5-[[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 94897731
2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47010444
N-methyl-1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 65243169
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120753345
5-(4-methylpiperidin-4-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 63124283
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-4-amine
CID 61284572

Frequently Asked Questions

What is the IUPAC name of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 136570102) is 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is c1cc(-c2noc(CN3CCCC34CCNC4)n2)cs1.
What is the InChIKey of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is SYQMMFLVAVXOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-14(4-5-15-10-14)18(6-1)8-12-16-13(17-19-12)11-2-7-20-9-11/h2,7,9,15H,1,3-6,8,10H2.
What are the key properties of 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 290.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,7-diazaspiro[4.4]nonan-1-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 136570102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).