2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

C10H12N2O3 — CID 127020316

IUPAC2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESC=C1CCN(c2nc(C(=O)O)co2)CC1
InChIInChI=1S/C10H12N2O3/c1-7-2-4-12(5-3-7)10-11-8(6-15-10)9(13)14/h6H,1-5H2,(H,13,14)
InChIKeyGTNSWIRTHBPONY-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.53
Rot. Bonds2

About 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid

2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (PubChem CID 127020316) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
PubChem CID127020316
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
SMILESC=C1CCN(c2nc(C(=O)O)co2)CC1
InChIInChI=1S/C10H12N2O3/c1-7-2-4-12(5-3-7)10-11-8(6-15-10)9(13)14/h6H,1-5H2,(H,13,14)
InChIKeyGTNSWIRTHBPONY-UHFFFAOYSA-N
XLogP1.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dihydropyrrol-1-yl)-1,3-oxazole-4-carboxylic acid
CID 131096590
2-(4-fluoropiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70845901
2-(4-tert-butylpiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377249
2-(4-cyclopentylpiperazin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 113377261
2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70846090
2-[4-[1-(4-bromophenyl)propyl]piperazin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134525
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134713696
N-methyl-2-morpholin-4-yl-1,3-oxazole-4-carboxamide
CID 142501279
2-imidazol-1-yl-1,3-oxazole-4-carboxylic acid
CID 112692736
2-[4-(4-methylpyrimidin-2-yl)oxypiperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 143797134
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
CID 95894173
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid (CID 127020316) is 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is C=C1CCN(c2nc(C(=O)O)co2)CC1.
What is the InChIKey of 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is GTNSWIRTHBPONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7-2-4-12(5-3-7)10-11-8(6-15-10)9(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid?
2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidenepiperidin-1-yl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 127020316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).