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

C16H16N2O5 — CID 119251838

IUPAC4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H16N2O5/c19-14(18-8-6-16(22,7-9-18)15(20)21)12-10-13(23-17-12)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,20,21)
InChIKeySZDCOTTVQRFMQF-UHFFFAOYSA-N
MW316.31 g/mol
LogP1.39
Rot. Bonds3

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

4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119251838) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID119251838
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cc(-c2ccccc2)on1)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C16H16N2O5/c19-14(18-8-6-16(22,7-9-18)15(20)21)12-10-13(23-17-12)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,20,21)
InChIKeySZDCOTTVQRFMQF-UHFFFAOYSA-N
XLogP1.39
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 90510455
(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 135091721
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 79410077
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(3-chlorophenyl)-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 35036906
[1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51264852
(2R)-1'-(5-phenyl-1,2-oxazole-3-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 97415034
2-oxo-2-[4-(5-phenyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 51279135
4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 119239890
(2S)-4-(5-phenyl-1,2-oxazole-3-carbonyl)morpholine-2-carboxylic acid
CID 129466190
(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
phenyl-[4-(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)piperazin-1-yl]methanone
CID 166181719

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid (CID 119251838) is 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid is O=C(c1cc(-c2ccccc2)on1)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is SZDCOTTVQRFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-14(18-8-6-16(22,7-9-18)15(20)21)12-10-13(23-17-12)11-4-2-1-3-5-11/h1-5,10,22H,6-9H2,(H,20,21).
What are the key properties of 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).