2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid

C12H16N2O4 — CID 54899806

IUPAC2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1oncc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8-10(7-13-18-8)12(17)14-5-3-2-4-9(14)6-11(15)16/h7,9H,2-6H2,1H3,(H,15,16)
InChIKeyKCICHVRRPOTRJI-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.45
Rot. Bonds3

About 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid

2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid (PubChem CID 54899806) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
PubChem CID54899806
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid
SMILESCc1oncc1C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C12H16N2O4/c1-8-10(7-13-18-8)12(17)14-5-3-2-4-9(14)6-11(15)16/h7,9H,2-6H2,1H3,(H,15,16)
InChIKeyKCICHVRRPOTRJI-UHFFFAOYSA-N
XLogP1.45
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(5-methyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 113330671
2-[1-(2,4,5-trimethylfuran-3-carbonyl)piperidin-2-yl]acetic acid
CID 61009564
2-[1-(2-hydroxy-4-methylbenzoyl)piperidin-2-yl]acetic acid
CID 61011217
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
2-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 154843973
2-[1-(pyridazine-4-carbonyl)piperidin-2-yl]acetic acid
CID 112640151
2-[1-(4-methylthiophene-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 79802677
2-[1-(2-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899664
2-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]acetic acid
CID 61011206
2-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899329
1-[1-(1,5-dimethylpyrazole-4-carbonyl)azepan-2-yl]propan-2-one
CID 79553133
2-[(2S)-1-(2-hydroxy-4-methylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 129366358

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid (CID 54899806) is 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid is Cc1oncc1C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid?
The InChIKey is KCICHVRRPOTRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8-10(7-13-18-8)12(17)14-5-3-2-4-9(14)6-11(15)16/h7,9H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid?
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).