3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid

C11H14N2O4 — CID 15682565

IUPAC3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(=O)N2CCCCC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-8(11(15)16)9(17-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,15,16)
InChIKeyKGORBKAETWVUMR-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.31
Rot. Bonds2

About 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid

3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 15682565) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
PubChem CID15682565
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1noc(C(=O)N2CCCCC2)c1C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-8(11(15)16)9(17-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,15,16)
InChIKeyKGORBKAETWVUMR-UHFFFAOYSA-N
XLogP1.31
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
(3,4-Dimethyl-7-oxo-7H-isoxazolo[3,4-d]pyridazin-6-yl)-acetic acid
CID 10822956
1-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-morpholin-4-ylethane-1,2-dione
CID 122400558
5-Tert-butylaminocarbonyl-3-isopropylisoxazole-4-carboxylic acid
CID 14990281
5-Tert-butylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692972
5-(Cyclopropylcarbamoyl)-3-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 15693004
2-[[2-(3,5-Dimethyl-1,2-oxazol-4-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261633
5-Carbamoyl-3-methyl-1,2-oxazole-4-carboxylic acid
CID 12793483
Methyl 5-(diethylcarbamoyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 15066157
Methyl 5-piperidinocarbonyl-3-methylisoxazole-4-carboxylate
CID 15682564
Methyl 5-isopropylaminocarbonyl-3-methylisoxazole-4-carboxylate
CID 15692969
5-Isopropylaminocarbonyl-3-methylisoxazole-4-carboxylic acid
CID 15692970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid (CID 15682565) is 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid is Cc1noc(C(=O)N2CCCCC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is KGORBKAETWVUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-8(11(15)16)9(17-12-7)10(14)13-5-3-2-4-6-13/h2-6H2,1H3,(H,15,16).
What are the key properties of 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 15682565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).