1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole

C19H21N3O3 — CID 72877481

IUPAC1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole
SMILESCCn1nc(C2CCOCC2)nc1-c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H21N3O3/c1-2-22-19(20-18(21-22)14-10-12-23-13-11-14)16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyGNBOIOYVQVLUJR-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.24
Rot. Bonds5

About 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole

1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole (PubChem CID 72877481) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole
PubChem CID72877481
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole
SMILESCCn1nc(C2CCOCC2)nc1-c1ccc(Oc2ccccc2)o1
InChIInChI=1S/C19H21N3O3/c1-2-22-19(20-18(21-22)14-10-12-23-13-11-14)16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3
InChIKeyGNBOIOYVQVLUJR-UHFFFAOYSA-N
XLogP4.24
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole?
The IUPAC name of 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole (CID 72877481) is 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole?
The canonical SMILES for 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole is CCn1nc(C2CCOCC2)nc1-c1ccc(Oc2ccccc2)o1.
What is the InChIKey of 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole?
The InChIKey is GNBOIOYVQVLUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-22-19(20-18(21-22)14-10-12-23-13-11-14)16-8-9-17(25-16)24-15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole?
1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole has a molecular weight of 339.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(oxan-4-yl)-5-(5-phenoxyfuran-2-yl)-1,2,4-triazole is sourced from PubChem (CID 72877481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).