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

C11H12N2O — CID 89273799

IUPAC2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2ncco2)cn1
InChIInChI=1S/C11H12N2O/c1-8(2)10-4-3-9(7-13-10)11-12-5-6-14-11/h3-8H,1-2H3
InChIKeyAYKFGDRCLNFFKG-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.86
Rot. Bonds2

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

2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole (PubChem CID 89273799) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
PubChem CID89273799
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
SMILESCC(C)c1ccc(-c2ncco2)cn1
InChIInChI=1S/C11H12N2O/c1-8(2)10-4-3-9(7-13-10)11-12-5-6-14-11/h3-8H,1-2H3
InChIKeyAYKFGDRCLNFFKG-UHFFFAOYSA-N
XLogP2.86
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole?
The IUPAC name of 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole (CID 89273799) is 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole?
The canonical SMILES for 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole is CC(C)c1ccc(-c2ncco2)cn1.
What is the InChIKey of 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole?
The InChIKey is AYKFGDRCLNFFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8(2)10-4-3-9(7-13-10)11-12-5-6-14-11/h3-8H,1-2H3.
What are the key properties of 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole?
2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole has a molecular weight of 188.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 89273799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).