3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide

C13H15N3O3 — CID 71991537

IUPAC3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)Nc2ncccc2O)on1
InChIInChI=1S/C13H15N3O3/c1-3-8(2)9-7-11(19-16-9)13(18)15-12-10(17)5-4-6-14-12/h4-8,17H,3H2,1-2H3,(H,14,15,18)
InChIKeyGTZLRHVTQGUDTQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.54
Rot. Bonds4

About 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide (PubChem CID 71991537) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide
PubChem CID71991537
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)c1cc(C(=O)Nc2ncccc2O)on1
InChIInChI=1S/C13H15N3O3/c1-3-8(2)9-7-11(19-16-9)13(18)15-12-10(17)5-4-6-14-12/h4-8,17H,3H2,1-2H3,(H,14,15,18)
InChIKeyGTZLRHVTQGUDTQ-UHFFFAOYSA-N
XLogP2.54
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide (CID 71991537) is 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)Nc2ncccc2O)on1.
What is the InChIKey of 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GTZLRHVTQGUDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-8(2)9-7-11(19-16-9)13(18)15-12-10(17)5-4-6-14-12/h4-8,17H,3H2,1-2H3,(H,14,15,18).
What are the key properties of 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide?
3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-(3-hydroxy-2-pyridinyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71991537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).