4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid

C15H18N2O4 — CID 67319499

IUPAC4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C15H18N2O4/c18-14(19)17-8-6-12(7-9-17)15(20)10-13(16-21-15)11-4-2-1-3-5-11/h1-5,12,20H,6-10H2,(H,18,19)
InChIKeyRPTHXWUGEWYESR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.89
Rot. Bonds2

About 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid

4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid (PubChem CID 67319499) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
PubChem CID67319499
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1
InChIInChI=1S/C15H18N2O4/c18-14(19)17-8-6-12(7-9-17)15(20)10-13(16-21-15)11-4-2-1-3-5-11/h1-5,12,20H,6-10H2,(H,18,19)
InChIKeyRPTHXWUGEWYESR-UHFFFAOYSA-N
XLogP1.89
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid (CID 67319499) is 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid is O=C(O)N1CCC(C2(O)CC(c3ccccc3)=NO2)CC1.
What is the InChIKey of 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
The InChIKey is RPTHXWUGEWYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)17-8-6-12(7-9-17)15(20)10-13(16-21-15)11-4-2-1-3-5-11/h1-5,12,20H,6-10H2,(H,18,19).
What are the key properties of 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid?
4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-3-phenyl-4H-1,2-oxazol-5-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 67319499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).