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

C16H16N2O4 — CID 119176237

IUPAC1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c19-15(18-9-5-4-8-13(18)16(20)21)14-10-12(17-22-14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,21)
InChIKeyAEEPSEIBGURQGS-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.42
Rot. Bonds3

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

1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 119176237) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID119176237
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cc(-c2ccccc2)no1
InChIInChI=1S/C16H16N2O4/c19-15(18-9-5-4-8-13(18)16(20)21)14-10-12(17-22-14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,21)
InChIKeyAEEPSEIBGURQGS-UHFFFAOYSA-N
XLogP2.42
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-phenyl-1,2-oxazole-5-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 122143499
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
(3-phenyl-1,2-oxazol-5-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 51081134
(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 57457627
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 119651558
(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 51550762
[2-(1-aminoethyl)piperidin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 119435086
(3R,6R)-6-methyl-1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide
CID 95585010
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
1-[3-[3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]-1,2-oxazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 87367634
[4-(hydroxymethyl)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 60956875

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid (CID 119176237) is 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cc(-c2ccccc2)no1.
What is the InChIKey of 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is AEEPSEIBGURQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-15(18-9-5-4-8-13(18)16(20)21)14-10-12(17-22-14)11-6-2-1-3-7-11/h1-3,6-7,10,13H,4-5,8-9H2,(H,20,21).
What are the key properties of 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 300.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 119176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).