2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid

C14H11N3O3 — CID 81173974

IUPAC2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1NCc1ccon1
InChIInChI=1S/C14H11N3O3/c18-14(19)11-7-9-3-1-2-4-12(9)16-13(11)15-8-10-5-6-20-17-10/h1-7H,8H2,(H,15,16)(H,18,19)
InChIKeyADLKPEYGZSKRRA-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds4

About 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid

2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid (PubChem CID 81173974) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid
PubChem CID81173974
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2nc1NCc1ccon1
InChIInChI=1S/C14H11N3O3/c18-14(19)11-7-9-3-1-2-4-12(9)16-13(11)15-8-10-5-6-20-17-10/h1-7H,8H2,(H,15,16)(H,18,19)
InChIKeyADLKPEYGZSKRRA-UHFFFAOYSA-N
XLogP2.53
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid (CID 81173974) is 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2nc1NCc1ccon1.
What is the InChIKey of 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid?
The InChIKey is ADLKPEYGZSKRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)11-7-9-3-1-2-4-12(9)16-13(11)15-8-10-5-6-20-17-10/h1-7H,8H2,(H,15,16)(H,18,19).
What are the key properties of 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid?
2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-3-ylmethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 81173974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).