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

C13H16N4O3 — CID 114422255

IUPAC4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1noc2ncnc(N3CCC(C)CC3C(=O)O)c12
InChIInChI=1S/C13H16N4O3/c1-7-3-4-17(9(5-7)13(18)19)11-10-8(2)16-20-12(10)15-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,18,19)
InChIKeyUGLREQSEJRBVBQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.62
Rot. Bonds2

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

4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 114422255) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID114422255
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1noc2ncnc(N3CCC(C)CC3C(=O)O)c12
InChIInChI=1S/C13H16N4O3/c1-7-3-4-17(9(5-7)13(18)19)11-10-8(2)16-20-12(10)15-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,18,19)
InChIKeyUGLREQSEJRBVBQ-UHFFFAOYSA-N
XLogP1.62
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422383
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 92723341
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
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 114422339
4-methyl-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 114422311
3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine
CID 72898476
(2R)-2-methyl-4-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 99836457
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
4-methyl-1-pyrimidin-4-ylpiperidine-2-carboxylic acid
CID 114422310
1-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 63595897

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 114422255) is 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1noc2ncnc(N3CCC(C)CC3C(=O)O)c12.
What is the InChIKey of 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is UGLREQSEJRBVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-7-3-4-17(9(5-7)13(18)19)11-10-8(2)16-20-12(10)15-6-14-11/h6-7,9H,3-5H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid?
4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114422255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).