4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole

C12H14N2O — CID 165372136

IUPAC4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole
SMILESCC(C)(C)c1ccncc1-c1cnoc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11-4-5-13-7-10(11)9-6-14-15-8-9/h4-8H,1-3H3
InChIKeyVIKRKCJEVHPGKH-UHFFFAOYSA-N
MW202.26 g/mol
LogP3.03
Rot. Bonds1

About 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole

4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole (PubChem CID 165372136) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole
PubChem CID165372136
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole
SMILESCC(C)(C)c1ccncc1-c1cnoc1
InChIInChI=1S/C12H14N2O/c1-12(2,3)11-4-5-13-7-10(11)9-6-14-15-8-9/h4-8H,1-3H3
InChIKeyVIKRKCJEVHPGKH-UHFFFAOYSA-N
XLogP3.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole (CID 165372136) is 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole is CC(C)(C)c1ccncc1-c1cnoc1.
What is the InChIKey of 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is VIKRKCJEVHPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)11-4-5-13-7-10(11)9-6-14-15-8-9/h4-8H,1-3H3.
What are the key properties of 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole?
4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 202.26 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 165372136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).