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

C12H18N4O2 — CID 55066705

IUPAC2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)(C)c1cnc(Cn2cc(CCO)nn2)o1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)10-6-13-11(18-10)8-16-7-9(4-5-17)14-15-16/h6-7,17H,4-5,8H2,1-3H3
InChIKeyZGOXRWZRWKZQPO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds4

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

2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 55066705) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID55066705
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCC(C)(C)c1cnc(Cn2cc(CCO)nn2)o1
InChIInChI=1S/C12H18N4O2/c1-12(2,3)10-6-13-11(18-10)8-16-7-9(4-5-17)14-15-16/h6-7,17H,4-5,8H2,1-3H3
InChIKeyZGOXRWZRWKZQPO-UHFFFAOYSA-N
XLogP1.15
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 55071781
1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 55133640
[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
CID 62053981
5-Tert-butyl-2-[[4-(chloromethyl)triazol-1-yl]methyl]-1,3-oxazole
CID 62399508
5-Tert-butyl-2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1,3-oxazole
CID 62400680
2-[[4-(Bromomethyl)triazol-1-yl]methyl]-5-tert-butyl-1,3-oxazole
CID 62401974
[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
CID 62402220
2-[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 62402237
2-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]propan-2-amine
CID 64005052
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193154
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]-N-methylmethanamine
CID 66194047
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194089

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (CID 55066705) is 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is CC(C)(C)c1cnc(Cn2cc(CCO)nn2)o1.
What is the InChIKey of 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is ZGOXRWZRWKZQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-12(2,3)10-6-13-11(18-10)8-16-7-9(4-5-17)14-15-16/h6-7,17H,4-5,8H2,1-3H3.
What are the key properties of 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
2-[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 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55066705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).