5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

C17H15N3O5 — CID 119245680

IUPAC5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C(=O)O)o3)c12
InChIInChI=1S/C17H15N3O5/c1-8-14-11(6-12(9-2-3-9)19-16(14)25-20-8)15(21)18-7-10-4-5-13(24-10)17(22)23/h4-6,9H,2-3,7H2,1H3,(H,18,21)(H,22,23)
InChIKeyURSREBRPAQFTTI-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.63
Rot. Bonds5

About 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119245680) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119245680
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C(=O)O)o3)c12
InChIInChI=1S/C17H15N3O5/c1-8-14-11(6-12(9-2-3-9)19-16(14)25-20-8)15(21)18-7-10-4-5-13(24-10)17(22)23/h4-6,9H,2-3,7H2,1H3,(H,18,21)(H,22,23)
InChIKeyURSREBRPAQFTTI-UHFFFAOYSA-N
XLogP2.63
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 119245680) is 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccc(C(=O)O)o3)c12.
What is the InChIKey of 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is URSREBRPAQFTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-8-14-11(6-12(9-2-3-9)19-16(14)25-20-8)15(21)18-7-10-4-5-13(24-10)17(22)23/h4-6,9H,2-3,7H2,1H3,(H,18,21)(H,22,23).
What are the key properties of 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 341.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).