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

C16H18N6O3 — CID 70740424

IUPAC1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3ncnc4onc(C)c34)CC2)c1
InChIInChI=1S/C16H18N6O3/c1-10-7-19-22(8-10)16(15(23)24)3-5-21(6-4-16)13-12-11(2)20-25-14(12)18-9-17-13/h7-9H,3-6H2,1-2H3,(H,23,24)
InChIKeyCVYUYIPQQPAPEV-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.51
Rot. Bonds3

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

1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 70740424) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID70740424
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(c3ncnc4onc(C)c34)CC2)c1
InChIInChI=1S/C16H18N6O3/c1-10-7-19-22(8-10)16(15(23)24)3-5-21(6-4-16)13-12-11(2)20-25-14(12)18-9-17-13/h7-9H,3-6H2,1-2H3,(H,23,24)
InChIKeyCVYUYIPQQPAPEV-UHFFFAOYSA-N
XLogP1.51
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 70740424) is 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(c3ncnc4onc(C)c34)CC2)c1.
What is the InChIKey of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is CVYUYIPQQPAPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-10-7-19-22(8-10)16(15(23)24)3-5-21(6-4-16)13-12-11(2)20-25-14(12)18-9-17-13/h7-9H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 342.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70740424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).