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

C10H14N4O2 — CID 62402237

IUPAC2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCc1nc(Cn2cc(CCO)nn2)oc1C
InChIInChI=1S/C10H14N4O2/c1-7-8(2)16-10(11-7)6-14-5-9(3-4-15)12-13-14/h5,15H,3-4,6H2,1-2H3
InChIKeyODFBFSIMBALUKB-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.47
Rot. Bonds4

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

2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 62402237) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID62402237
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCc1nc(Cn2cc(CCO)nn2)oc1C
InChIInChI=1S/C10H14N4O2/c1-7-8(2)16-10(11-7)6-14-5-9(3-4-15)12-13-14/h5,15H,3-4,6H2,1-2H3
InChIKeyODFBFSIMBALUKB-UHFFFAOYSA-N
XLogP0.47
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (CID 62402237) is 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is Cc1nc(Cn2cc(CCO)nn2)oc1C.
What is the InChIKey of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is ODFBFSIMBALUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-7-8(2)16-10(11-7)6-14-5-9(3-4-15)12-13-14/h5,15H,3-4,6H2,1-2H3.
What are the key properties of 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol has a molecular weight of 222.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62402237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).