5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine

C15H16N4OS — CID 69235206

IUPAC5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(Nc2cccc(-c3nccs3)n2)no1
InChIInChI=1S/C15H16N4OS/c1-15(2,3)11-9-13(19-20-11)18-12-6-4-5-10(17-12)14-16-7-8-21-14/h4-9H,1-3H3,(H,17,18,19)
InChIKeyRSBMBTYMEFZPCR-UHFFFAOYSA-N
MW300.39 g/mol
LogP4.23
Rot. Bonds3

About 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine

5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine (PubChem CID 69235206) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine
PubChem CID69235206
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine
SMILESCC(C)(C)c1cc(Nc2cccc(-c3nccs3)n2)no1
InChIInChI=1S/C15H16N4OS/c1-15(2,3)11-9-13(19-20-11)18-12-6-4-5-10(17-12)14-16-7-8-21-14/h4-9H,1-3H3,(H,17,18,19)
InChIKeyRSBMBTYMEFZPCR-UHFFFAOYSA-N
XLogP4.23
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine (CID 69235206) is 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine is CC(C)(C)c1cc(Nc2cccc(-c3nccs3)n2)no1.
What is the InChIKey of 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine?
The InChIKey is RSBMBTYMEFZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-15(2,3)11-9-13(19-20-11)18-12-6-4-5-10(17-12)14-16-7-8-21-14/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine?
5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine has a molecular weight of 300.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[6-(1,3-thiazol-2-yl)-2-pyridinyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 69235206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).