1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol

C12H18N4O2 — CID 81445215

IUPAC1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C12H18N4O2/c1-8(17)9-6-16(15-14-9)7-11-13-5-10(18-11)12(2,3)4/h5-6,8,17H,7H2,1-4H3
InChIKeyJEMWZPGILIERBN-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol

1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81445215) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID81445215
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ncc(C(C)(C)C)o2)nn1
InChIInChI=1S/C12H18N4O2/c1-8(17)9-6-16(15-14-9)7-11-13-5-10(18-11)12(2,3)4/h5-6,8,17H,7H2,1-4H3
InChIKeyJEMWZPGILIERBN-UHFFFAOYSA-N
XLogP1.67
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (CID 81445215) is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ncc(C(C)(C)C)o2)nn1.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is JEMWZPGILIERBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(17)9-6-16(15-14-9)7-11-13-5-10(18-11)12(2,3)4/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 250.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81445215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).