3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid

C13H16N4O5S — CID 146136179

IUPAC3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)cn1
InChIInChI=1S/C13H16N4O5S/c1-16-8-10(7-14-16)23(20,21)17-4-2-9(3-5-17)11-6-12(13(18)19)22-15-11/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyFSNFZRMSWFVSQB-UHFFFAOYSA-N
MW340.36 g/mol
LogP0.67
Rot. Bonds4

About 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid

3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146136179) has the molecular formula C13H16N4O5S and a molecular weight of 340.36 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146136179
Molecular FormulaC13H16N4O5S
Molecular Weight340.36 g/mol
Exact Mass340.08
IUPAC Name3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)cn1
InChIInChI=1S/C13H16N4O5S/c1-16-8-10(7-14-16)23(20,21)17-4-2-9(3-5-17)11-6-12(13(18)19)22-15-11/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyFSNFZRMSWFVSQB-UHFFFAOYSA-N
XLogP0.67
TPSA118.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-methyloxolan-3-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid
CID 167745354
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92557995
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-(1-methylpyrazol-4-yl)sulfonyl-4-thiophen-3-ylpiperidine
CID 71807083
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
5-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]benzamide
CID 120635627
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485690
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
N-cyclohexyl-3-[(3S)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92590162

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146136179) is 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is Cn1cc(S(=O)(=O)N2CCC(c3cc(C(=O)O)on3)CC2)cn1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FSNFZRMSWFVSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5S/c1-16-8-10(7-14-16)23(20,21)17-4-2-9(3-5-17)11-6-12(13(18)19)22-15-11/h6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146136179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).