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

C10H14N4O2 — CID 81443815

IUPAC1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCc1nc(Cn2cc(C(C)O)nn2)oc1C
InChIInChI=1S/C10H14N4O2/c1-6-8(3)16-10(11-6)5-14-4-9(7(2)15)12-13-14/h4,7,15H,5H2,1-3H3
InChIKeyCDQBNTADXQQRHR-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.98
Rot. Bonds3

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

1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (PubChem CID 81443815) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
PubChem CID81443815
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
SMILESCc1nc(Cn2cc(C(C)O)nn2)oc1C
InChIInChI=1S/C10H14N4O2/c1-6-8(3)16-10(11-6)5-14-4-9(7(2)15)12-13-14/h4,7,15H,5H2,1-3H3
InChIKeyCDQBNTADXQQRHR-UHFFFAOYSA-N
XLogP0.98
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[1-[(2-tert-butyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]butan-2-ol
CID 164629542
2-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 55066705
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylic acid
CID 62059930
2-[[4-(2-Bromoethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 62395495
[1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
CID 62401087
2-[[4-(2-Chloroethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 62401593
[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-[[4-(Diethoxymethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 66213746
1-[1-[(5-Tert-butyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol
CID 81445215
2-[[4-(1-Chloroethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 81448921
2-[[4-(1-Bromoethyl)triazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 81450068

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol (CID 81443815) is 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is Cc1nc(Cn2cc(C(C)O)nn2)oc1C.
What is the InChIKey of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
The InChIKey is CDQBNTADXQQRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-8(3)16-10(11-6)5-14-4-9(7(2)15)12-13-14/h4,7,15H,5H2,1-3H3.
What are the key properties of 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol?
1-[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 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81443815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).