5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole

C10H14N4O — CID 50950116

IUPAC5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnnc2)no1
InChIInChI=1S/C10H14N4O/c1-8(2)3-10-4-9(13-15-10)5-14-6-11-12-7-14/h4,6-8H,3,5H2,1-2H3
InChIKeyOALGQVBNMGKEAH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.51
Rot. Bonds4

About 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole

5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole (PubChem CID 50950116) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole
PubChem CID50950116
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cnnc2)no1
InChIInChI=1S/C10H14N4O/c1-8(2)3-10-4-9(13-15-10)5-14-6-11-12-7-14/h4,6-8H,3,5H2,1-2H3
InChIKeyOALGQVBNMGKEAH-UHFFFAOYSA-N
XLogP1.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole (CID 50950116) is 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole is CC(C)Cc1cc(Cn2cnnc2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole?
The InChIKey is OALGQVBNMGKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(2)3-10-4-9(13-15-10)5-14-6-11-12-7-14/h4,6-8H,3,5H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole?
5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole has a molecular weight of 206.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(1,2,4-triazol-4-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 50950116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).