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

C15H22N2O4 — CID 146103644

IUPAC3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C15H22N2O4/c1-10(2)3-4-14(18)17-7-5-11(6-8-17)12-9-13(15(19)20)21-16-12/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWQHFOMFPDOXVQI-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.52
Rot. Bonds5

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

3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 146103644) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID146103644
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)CCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C15H22N2O4/c1-10(2)3-4-14(18)17-7-5-11(6-8-17)12-9-13(15(19)20)21-16-12/h9-11H,3-8H2,1-2H3,(H,19,20)
InChIKeyWQHFOMFPDOXVQI-UHFFFAOYSA-N
XLogP2.52
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2-oxazole;oxalic acid
CID 46905345
3-(Butan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 54595047
3-(Oxan-4-yl)-1,2-oxazole-5-carboxylic acid
CID 62385927
3-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}-1,2-oxazole-5-carboxylic acid
CID 137964720
methyl 3-[[(3R,4S)-4-[2-(diethylamino)-2-oxoethyl]piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylate
CID 26743062
3-Cyclohexylisoxazole-5-carboxylic acid
CID 6484168
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 66509383
3-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)-1,2-oxazole-5-carboxylic acid
CID 66509384
Tert-butyl 4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]piperidine-1-carboxylate
CID 124254063
3-(Pentan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 165764136
3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-3-yl}-1,2-oxazole-5-carboxylic acid
CID 170901818
3-[[(3R,4S)-4-(2-oxo-2-piperidin-1-ylethyl)piperidin-3-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 26742590

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid (CID 146103644) is 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is CC(C)CCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is WQHFOMFPDOXVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)3-4-14(18)17-7-5-11(6-8-17)12-9-13(15(19)20)21-16-12/h9-11H,3-8H2,1-2H3,(H,19,20).
What are the key properties of 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylpentanoyl)piperidin-4-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146103644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).