methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate

C14H16N4O3S — CID 167859623

IUPACmethyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CCSC12CN(c1ncnc3onc(C)c13)C2
InChIInChI=1S/C14H16N4O3S/c1-8-10-11(15-7-16-12(10)21-17-8)18-5-14(6-18)9(3-4-22-14)13(19)20-2/h7,9H,3-6H2,1-2H3
InChIKeyVKTYZRMBNPDYIT-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate

methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate (PubChem CID 167859623) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate
PubChem CID167859623
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Namemethyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate
SMILESCOC(=O)C1CCSC12CN(c1ncnc3onc(C)c13)C2
InChIInChI=1S/C14H16N4O3S/c1-8-10-11(15-7-16-12(10)21-17-8)18-5-14(6-18)9(3-4-22-14)13(19)20-2/h7,9H,3-6H2,1-2H3
InChIKeyVKTYZRMBNPDYIT-UHFFFAOYSA-N
XLogP1.41
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate with MolForge

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Related Compounds

N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
2-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371898
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 63903342
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929274
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
CID 126838730
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
N-(5-chloro-2-methoxyphenyl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929267
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46282532
[4-(3-methoxyphenyl)piperazin-1-yl]-[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 92706939

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate?
The IUPAC name of methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate (CID 167859623) is methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate.
What is the SMILES notation for methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate?
The canonical SMILES for methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate is COC(=O)C1CCSC12CN(c1ncnc3onc(C)c13)C2.
What is the InChIKey of methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate?
The InChIKey is VKTYZRMBNPDYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-8-10-11(15-7-16-12(10)21-17-8)18-5-14(6-18)9(3-4-22-14)13(19)20-2/h7,9H,3-6H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate?
methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate has a molecular weight of 320.37 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate is sourced from PubChem (CID 167859623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).