4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole

C12H18N4O — CID 138581008

IUPAC4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1cn(C(C)(C)c2cocn2)nn1
InChIInChI=1S/C12H18N4O/c1-11(2,3)9-6-16(15-14-9)12(4,5)10-7-17-8-13-10/h6-8H,1-5H3
InChIKeyGWTHUDCBKFUZIJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.35
Rot. Bonds2

About 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole

4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole (PubChem CID 138581008) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole
PubChem CID138581008
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole
SMILESCC(C)(C)c1cn(C(C)(C)c2cocn2)nn1
InChIInChI=1S/C12H18N4O/c1-11(2,3)9-6-16(15-14-9)12(4,5)10-7-17-8-13-10/h6-8H,1-5H3
InChIKeyGWTHUDCBKFUZIJ-UHFFFAOYSA-N
XLogP2.35
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole?
The IUPAC name of 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole (CID 138581008) is 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole?
The canonical SMILES for 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole is CC(C)(C)c1cn(C(C)(C)c2cocn2)nn1.
What is the InChIKey of 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole?
The InChIKey is GWTHUDCBKFUZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-11(2,3)9-6-16(15-14-9)12(4,5)10-7-17-8-13-10/h6-8H,1-5H3.
What are the key properties of 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole?
4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole has a molecular weight of 234.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butyltriazol-1-yl)propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 138581008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).