N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide

C16H21N5O2 — CID 126838730

IUPACN-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3onc(C)c23)C12CCCC2
InChIInChI=1S/C16H21N5O2/c1-10-13-14(17-9-18-15(13)23-20-10)21-8-5-12(19-11(2)22)16(21)6-3-4-7-16/h9,12H,3-8H2,1-2H3,(H,19,22)
InChIKeyKIVYMLGHMUPQHR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.95
Rot. Bonds2

About N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide

N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide (PubChem CID 126838730) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
PubChem CID126838730
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2ncnc3onc(C)c23)C12CCCC2
InChIInChI=1S/C16H21N5O2/c1-10-13-14(17-9-18-15(13)23-20-10)21-8-5-12(19-11(2)22)16(21)6-3-4-7-16/h9,12H,3-8H2,1-2H3,(H,19,22)
InChIKeyKIVYMLGHMUPQHR-UHFFFAOYSA-N
XLogP1.95
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
N-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-amine
CID 63277049
2,2-difluoro-N-[1-(5-methoxyquinazolin-4-yl)-1-azaspiro[4.4]nonan-4-yl]propanamide
CID 154766792
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
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
methyl 2-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-5-thia-2-azaspiro[3.4]octane-8-carboxylate
CID 167859623
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)azetidin-3-yl]acetic acid
CID 64618849
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 70751055
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide?
The IUPAC name of N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide (CID 126838730) is N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide?
The canonical SMILES for N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide is CC(=O)NC1CCN(c2ncnc3onc(C)c23)C12CCCC2.
What is the InChIKey of N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide?
The InChIKey is KIVYMLGHMUPQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-13-14(17-9-18-15(13)23-20-10)21-8-5-12(19-11(2)22)16(21)6-3-4-7-16/h9,12H,3-8H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide?
N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1-azaspiro[4.4]nonan-4-yl]acetamide is sourced from PubChem (CID 126838730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).