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

C9H12N4O2 — CID 62401087

IUPAC[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
SMILESCc1nc(Cn2cc(CO)nn2)oc1C
InChIInChI=1S/C9H12N4O2/c1-6-7(2)15-9(10-6)4-13-3-8(5-14)11-12-13/h3,14H,4-5H2,1-2H3
InChIKeyRHYJIKAZMDYBOP-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.42
Rot. Bonds3

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

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol (PubChem CID 62401087) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
PubChem CID62401087
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol
SMILESCc1nc(Cn2cc(CO)nn2)oc1C
InChIInChI=1S/C9H12N4O2/c1-6-7(2)15-9(10-6)4-13-3-8(5-14)11-12-13/h3,14H,4-5H2,1-2H3
InChIKeyRHYJIKAZMDYBOP-UHFFFAOYSA-N
XLogP0.42
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol (CID 62401087) is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol is Cc1nc(Cn2cc(CO)nn2)oc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
The InChIKey is RHYJIKAZMDYBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-7(2)15-9(10-6)4-13-3-8(5-14)11-12-13/h3,14H,4-5H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol?
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol has a molecular weight of 208.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanol is sourced from PubChem (CID 62401087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).