5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

C14H16N6O — CID 72848233

IUPAC5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1
InChIInChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWLWKGSNAHLXCJJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.97
Rot. Bonds5

About 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole

5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (PubChem CID 72848233) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
PubChem CID72848233
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole
SMILESCC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1
InChIInChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3
InChIKeyWLWKGSNAHLXCJJ-UHFFFAOYSA-N
XLogP1.97
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole (CID 72848233) is 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is CC(C)Cc1cc(Cn2cc(-c3cncnc3)nn2)no1.
What is the InChIKey of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
The InChIKey is WLWKGSNAHLXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-10(2)3-13-4-12(18-21-13)7-20-8-14(17-19-20)11-5-15-9-16-6-11/h4-6,8-10H,3,7H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole?
5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole has a molecular weight of 284.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-[(4-pyrimidin-5-yltriazol-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 72848233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).