4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole

C17H17N5O3 — CID 141425394

IUPAC4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
SMILESCOCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1
InChIInChI=1S/C17H17N5O3/c1-23-10-14-11-24-17(19-14)9-22-18-7-16(20-22)21-8-15(25-12-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyJJONEYJQIVPNMU-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.25
Rot. Bonds6

About 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole

4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole (PubChem CID 141425394) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
PubChem CID141425394
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole
SMILESCOCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1
InChIInChI=1S/C17H17N5O3/c1-23-10-14-11-24-17(19-14)9-22-18-7-16(20-22)21-8-15(25-12-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3
InChIKeyJJONEYJQIVPNMU-UHFFFAOYSA-N
XLogP2.25
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole (CID 141425394) is 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole is COCc1coc(Cn2ncc(N3C=C(c4ccccc4)OC3)n2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
The InChIKey is JJONEYJQIVPNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-23-10-14-11-24-17(19-14)9-22-18-7-16(20-22)21-8-15(25-12-21)13-5-3-2-4-6-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole?
4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole has a molecular weight of 339.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[[4-(5-phenyl-2H-1,3-oxazol-3-yl)triazol-2-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 141425394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).