5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole

C10H14N4O2 — CID 66155370

IUPAC5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESCOCc1cc(-c2n[nH]c(C(C)C)n2)no1
InChIInChI=1S/C10H14N4O2/c1-6(2)9-11-10(13-12-9)8-4-7(5-15-3)16-14-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyCTSXFQIBUKWPKG-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.73
Rot. Bonds4

About 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole

5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole (PubChem CID 66155370) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
PubChem CID66155370
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole
SMILESCOCc1cc(-c2n[nH]c(C(C)C)n2)no1
InChIInChI=1S/C10H14N4O2/c1-6(2)9-11-10(13-12-9)8-4-7(5-15-3)16-14-8/h4,6H,5H2,1-3H3,(H,11,12,13)
InChIKeyCTSXFQIBUKWPKG-UHFFFAOYSA-N
XLogP1.73
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The IUPAC name of 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole (CID 66155370) is 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole is COCc1cc(-c2n[nH]c(C(C)C)n2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
The InChIKey is CTSXFQIBUKWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6(2)9-11-10(13-12-9)8-4-7(5-15-3)16-14-8/h4,6H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole?
5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole has a molecular weight of 222.25 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,2-oxazole is sourced from PubChem (CID 66155370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).