5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

C13H14N4O2 — CID 45087025

IUPAC5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2cccnc2)c1C(=O)NC1CCC1
InChIInChI=1S/C13H14N4O2/c14-12-10(13(18)16-9-4-1-5-9)11(17-19-12)8-3-2-6-15-7-8/h2-3,6-7,9H,1,4-5,14H2,(H,16,18)
InChIKeyKWCYXSFIEZGWRE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.60
Rot. Bonds3

About 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide

5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (PubChem CID 45087025) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
PubChem CID45087025
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide
SMILESNc1onc(-c2cccnc2)c1C(=O)NC1CCC1
InChIInChI=1S/C13H14N4O2/c14-12-10(13(18)16-9-4-1-5-9)11(17-19-12)8-3-2-6-15-7-8/h2-3,6-7,9H,1,4-5,14H2,(H,16,18)
InChIKeyKWCYXSFIEZGWRE-UHFFFAOYSA-N
XLogP1.60
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide (CID 45087025) is 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is Nc1onc(-c2cccnc2)c1C(=O)NC1CCC1.
What is the InChIKey of 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
The InChIKey is KWCYXSFIEZGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12-10(13(18)16-9-4-1-5-9)11(17-19-12)8-3-2-6-15-7-8/h2-3,6-7,9H,1,4-5,14H2,(H,16,18).
What are the key properties of 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide?
5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclobutyl-3-pyridin-3-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 45087025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).