5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid

C8H9N3O4 — CID 84678174

IUPAC5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
SMILESNC(=O)N1CCc2noc(C(=O)O)c2C1
InChIInChI=1S/C8H9N3O4/c9-8(14)11-2-1-5-4(3-11)6(7(12)13)15-10-5/h1-3H2,(H2,9,14)(H,12,13)
InChIKeyRQLWLBPBHCQUDH-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.19
Rot. Bonds1

About 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid

5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 84678174) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID84678174
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid
SMILESNC(=O)N1CCc2noc(C(=O)O)c2C1
InChIInChI=1S/C8H9N3O4/c9-8(14)11-2-1-5-4(3-11)6(7(12)13)15-10-5/h1-3H2,(H2,9,14)(H,12,13)
InChIKeyRQLWLBPBHCQUDH-UHFFFAOYSA-N
XLogP-0.19
TPSA109.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid (CID 84678174) is 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid is NC(=O)N1CCc2noc(C(=O)O)c2C1.
What is the InChIKey of 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is RQLWLBPBHCQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-8(14)11-2-1-5-4(3-11)6(7(12)13)15-10-5/h1-3H2,(H2,9,14)(H,12,13).
What are the key properties of 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid?
5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 84678174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).