4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid

C14H17N5O3 — CID 72869675

IUPAC4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESCc1nc(CC2CCN(c3ncncc3C(=O)O)CC2)no1
InChIInChI=1S/C14H17N5O3/c1-9-17-12(18-22-9)6-10-2-4-19(5-3-10)13-11(14(20)21)7-15-8-16-13/h7-8,10H,2-6H2,1H3,(H,20,21)
InChIKeyMGZGMZHPSWPSOO-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.33
Rot. Bonds4

About 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid

4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 72869675) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID72869675
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESCc1nc(CC2CCN(c3ncncc3C(=O)O)CC2)no1
InChIInChI=1S/C14H17N5O3/c1-9-17-12(18-22-9)6-10-2-4-19(5-3-10)13-11(14(20)21)7-15-8-16-13/h7-8,10H,2-6H2,1H3,(H,20,21)
InChIKeyMGZGMZHPSWPSOO-UHFFFAOYSA-N
XLogP1.33
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid (CID 72869675) is 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid is Cc1nc(CC2CCN(c3ncncc3C(=O)O)CC2)no1.
What is the InChIKey of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is MGZGMZHPSWPSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9-17-12(18-22-9)6-10-2-4-19(5-3-10)13-11(14(20)21)7-15-8-16-13/h7-8,10H,2-6H2,1H3,(H,20,21).
What are the key properties of 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 72869675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).