N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide

C12H13N3O2 — CID 167447645

IUPACN-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccon2)n1
InChIInChI=1S/C12H13N3O2/c1-8(2)9-4-3-5-11(13-9)14-12(16)10-6-7-17-15-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyNZGIULKSQYSPDF-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.45
Rot. Bonds3

About N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide

N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide (PubChem CID 167447645) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
PubChem CID167447645
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2ccon2)n1
InChIInChI=1S/C12H13N3O2/c1-8(2)9-4-3-5-11(13-9)14-12(16)10-6-7-17-15-10/h3-8H,1-2H3,(H,13,14,16)
InChIKeyNZGIULKSQYSPDF-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide (CID 167447645) is N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide is CC(C)c1cccc(NC(=O)c2ccon2)n1.
What is the InChIKey of N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NZGIULKSQYSPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8(2)9-4-3-5-11(13-9)14-12(16)10-6-7-17-15-10/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide?
N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propan-2-yl-2-pyridinyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 167447645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).