6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C18H20N2O4S — CID 119136532

IUPAC6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H20N2O4S/c1-11-13(19-16(24-11)14-3-2-8-25-14)9-15(21)20-6-4-18(5-7-20)10-12(18)17(22)23/h2-3,8,12H,4-7,9-10H2,1H3,(H,22,23)
InChIKeyKYVDARQJIPYWOX-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.97
Rot. Bonds4

About 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119136532) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119136532
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCc1oc(-c2cccs2)nc1CC(=O)N1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C18H20N2O4S/c1-11-13(19-16(24-11)14-3-2-8-25-14)9-15(21)20-6-4-18(5-7-20)10-12(18)17(22)23/h2-3,8,12H,4-7,9-10H2,1H3,(H,22,23)
InChIKeyKYVDARQJIPYWOX-UHFFFAOYSA-N
XLogP2.97
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

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Related Compounds

4-hydroxy-1-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxamide
CID 146084239
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 31858971
1-[(3S)-3-ethoxypyrrolidin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 136586915
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119580049
1-(2-ethylmorpholin-4-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 43070547
2-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120545472
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112813472
1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 55515759
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94103355
1-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 94487250

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119136532) is 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is Cc1oc(-c2cccs2)nc1CC(=O)N1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is KYVDARQJIPYWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11-13(19-16(24-11)14-3-2-8-25-14)9-15(21)20-6-4-18(5-7-20)10-12(18)17(22)23/h2-3,8,12H,4-7,9-10H2,1H3,(H,22,23).
What are the key properties of 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119136532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).