2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

C15H18N4O5 — CID 119061142

IUPAC2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)Cn1nccc1C1CCCN(Cc2nc(C(=O)O)co2)C1
InChIInChI=1S/C15H18N4O5/c20-14(21)8-19-12(3-4-16-19)10-2-1-5-18(6-10)7-13-17-11(9-24-13)15(22)23/h3-4,9-10H,1-2,5-8H2,(H,20,21)(H,22,23)
InChIKeyLBHLFKBTOGBOFC-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.03
Rot. Bonds6

About 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 119061142) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID119061142
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)Cn1nccc1C1CCCN(Cc2nc(C(=O)O)co2)C1
InChIInChI=1S/C15H18N4O5/c20-14(21)8-19-12(3-4-16-19)10-2-1-5-18(6-10)7-13-17-11(9-24-13)15(22)23/h3-4,9-10H,1-2,5-8H2,(H,20,21)(H,22,23)
InChIKeyLBHLFKBTOGBOFC-UHFFFAOYSA-N
XLogP1.03
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

2-[5-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104610
4-(3-isopropyl-1H-pyrazol-1-yl)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70732399
Ethyl 2-[(5-methyl-4-piperidin-4-ylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylate
CID 177659479
Ethyl 2-[(3-methyl-4-piperidin-4-ylpyrazol-1-yl)methyl]-1,3-oxazole-4-carboxylate
CID 177662220
2-(3-Acetyl-pyrazol-1-ylmethyl)-oxazole-4-carboxylic acid
CID 67128767
2-{[2-(2-carboxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]methyl}-1,3-oxazole-4-carboxylic acid
CID 56897968
(3-{1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl}-1H-pyrazol-1-yl)acetic acid
CID 119060960
(5-{1-[(2-isopropyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl}-1H-pyrazol-1-yl)acetic acid
CID 119062760
2-[3-[(3R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126427566
2-[3-[(3S)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126427567
2-[[(3S)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 126428127
2-[[(3R)-3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 126428128

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 119061142) is 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)Cn1nccc1C1CCCN(Cc2nc(C(=O)O)co2)C1.
What is the InChIKey of 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is LBHLFKBTOGBOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O5/c20-14(21)8-19-12(3-4-16-19)10-2-1-5-18(6-10)7-13-17-11(9-24-13)15(22)23/h3-4,9-10H,1-2,5-8H2,(H,20,21)(H,22,23).
What are the key properties of 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 119061142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).