3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid

C18H15N3O4 — CID 75368227

IUPAC3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)c1cccnc1)c1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H15N3O4/c1-11(20-17(22)13-8-5-9-19-10-13)16-14(18(23)24)15(21-25-16)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,22)(H,23,24)/t11-/m1/s1
InChIKeyYEYPSKJXHSKNJI-LLVKDONJSA-N
MW337.34 g/mol
LogP2.93
Rot. Bonds5

About 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid

3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 75368227) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
PubChem CID75368227
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid
SMILESC[C@@H](NC(=O)c1cccnc1)c1onc(-c2ccccc2)c1C(=O)O
InChIInChI=1S/C18H15N3O4/c1-11(20-17(22)13-8-5-9-19-10-13)16-14(18(23)24)15(21-25-16)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,22)(H,23,24)/t11-/m1/s1
InChIKeyYEYPSKJXHSKNJI-LLVKDONJSA-N
XLogP2.93
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid (CID 75368227) is 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is C[C@@H](NC(=O)c1cccnc1)c1onc(-c2ccccc2)c1C(=O)O.
What is the InChIKey of 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is YEYPSKJXHSKNJI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-11(20-17(22)13-8-5-9-19-10-13)16-14(18(23)24)15(21-25-16)12-6-3-2-4-7-12/h2-11H,1H3,(H,20,22)(H,23,24)/t11-/m1/s1.
What are the key properties of 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid?
3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 337.34 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(1R)-1-(pyridine-3-carbonylamino)ethyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 75368227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).