5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid

C18H22N4O4 — CID 166366142

IUPAC5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCn1nc(C2CCC2)cc1C(=O)N1CCCCC1c1ocnc1C(=O)O
InChIInChI=1S/C18H22N4O4/c1-21-14(9-12(20-21)11-5-4-6-11)17(23)22-8-3-2-7-13(22)16-15(18(24)25)19-10-26-16/h9-11,13H,2-8H2,1H3,(H,24,25)
InChIKeyQOGCVFVVPGOORF-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.74
Rot. Bonds4

About 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 166366142) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID166366142
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid
SMILESCn1nc(C2CCC2)cc1C(=O)N1CCCCC1c1ocnc1C(=O)O
InChIInChI=1S/C18H22N4O4/c1-21-14(9-12(20-21)11-5-4-6-11)17(23)22-8-3-2-7-13(22)16-15(18(24)25)19-10-26-16/h9-11,13H,2-8H2,1H3,(H,24,25)
InChIKeyQOGCVFVVPGOORF-UHFFFAOYSA-N
XLogP2.74
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 165440213
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 133054193
5-[2-(4-chlorophenyl)azepane-1-carbonyl]-1-methylpyrazole-3-carboxylic acid
CID 154843204
lithium;5-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid;methyl 5-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidin-2-yl]-1,3-oxazole-4-carboxylate;hydroxide
CID 158383798
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
(5-methyl-1,3-oxazol-4-yl)-[(2R)-2-pyridin-2-ylpiperidin-1-yl]methanone
CID 95871537
(3-cyclobutyl-1,2-oxazol-5-yl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 167972128
(1-methyl-3-phenylpyrazol-5-yl)-[(3S)-3-phenylazepan-1-yl]methanone
CID 99979577
1-[1-methyl-3-(oxan-3-yl)pyrazol-5-yl]ethanone
CID 115092483
[(2R)-2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 125142071
2-methyl-5-[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110118335
2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 154848159

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid (CID 166366142) is 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid is Cn1nc(C2CCC2)cc1C(=O)N1CCCCC1c1ocnc1C(=O)O.
What is the InChIKey of 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is QOGCVFVVPGOORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21-14(9-12(20-21)11-5-4-6-11)17(23)22-8-3-2-7-13(22)16-15(18(24)25)19-10-26-16/h9-11,13H,2-8H2,1H3,(H,24,25).
What are the key properties of 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-cyclobutyl-1-methylpyrazole-5-carbonyl)piperidin-2-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166366142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).