9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H20N4O3S — CID 131680105

IUPAC9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(CC(=O)N2CCCC3(CCN(c4ccsc4)C3=O)C2)n1
InChIInChI=1S/C17H20N4O3S/c1-12-18-14(24-19-12)9-15(22)20-6-2-4-17(11-20)5-7-21(16(17)23)13-3-8-25-10-13/h3,8,10H,2,4-7,9,11H2,1H3
InChIKeyLBDLLRPHBYDQKS-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.03
Rot. Bonds3

About 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131680105) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131680105
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1noc(CC(=O)N2CCCC3(CCN(c4ccsc4)C3=O)C2)n1
InChIInChI=1S/C17H20N4O3S/c1-12-18-14(24-19-12)9-15(22)20-6-2-4-17(11-20)5-7-21(16(17)23)13-3-8-25-10-13/h3,8,10H,2,4-7,9,11H2,1H3
InChIKeyLBDLLRPHBYDQKS-UHFFFAOYSA-N
XLogP2.03
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

(5S)-9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97395746
1-oxo-N-propan-2-yl-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carboxamide
CID 118738782
1-(1-oxo-2-thiophen-3-yl-2,9-diazaspiro[4.5]decane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131686150
9-(2-methylpyrazole-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155866496
7-(pyridazine-4-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 118739645
9-(pyridine-3-carbonyl)-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 118744317
8-benzoyl-2-thiophen-3-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688555
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
7-(2-methoxyethyl)-2-(2-thiophen-3-ylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45226456
1-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 91653914
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 131680105) is 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is Cc1noc(CC(=O)N2CCCC3(CCN(c4ccsc4)C3=O)C2)n1.
What is the InChIKey of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is LBDLLRPHBYDQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-12-18-14(24-19-12)9-15(22)20-6-2-4-17(11-20)5-7-21(16(17)23)13-3-8-25-10-13/h3,8,10H,2,4-7,9,11H2,1H3.
What are the key properties of 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 360.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-2-thiophen-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131680105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).