2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

C13H16N4O4 — CID 63903342

IUPAC2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCc1noc2ncnc(N3CCC(OCC(=O)O)CC3)c12
InChIInChI=1S/C13H16N4O4/c1-8-11-12(14-7-15-13(11)21-16-8)17-4-2-9(3-5-17)20-6-10(18)19/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyVVRKFKQFXLSIIK-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.00
Rot. Bonds4

About 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid

2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (PubChem CID 63903342) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
PubChem CID63903342
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
SMILESCc1noc2ncnc(N3CCC(OCC(=O)O)CC3)c12
InChIInChI=1S/C13H16N4O4/c1-8-11-12(14-7-15-13(11)21-16-8)17-4-2-9(3-5-17)20-6-10(18)19/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyVVRKFKQFXLSIIK-UHFFFAOYSA-N
XLogP1.00
TPSA101.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)azetidin-3-yl]acetic acid
CID 64618849
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422255
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20929324
(4-benzylpiperazin-1-yl)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20929323
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46282532
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid (CID 63903342) is 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is Cc1noc2ncnc(N3CCC(OCC(=O)O)CC3)c12.
What is the InChIKey of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
The InChIKey is VVRKFKQFXLSIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-11-12(14-7-15-13(11)21-16-8)17-4-2-9(3-5-17)20-6-10(18)19/h7,9H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid has a molecular weight of 292.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63903342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).