4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol

C19H20N4O3 — CID 134806355

IUPAC4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol
SMILESOC1(c2nc(Nc3ccc(Oc4ccccc4)cc3)n[nH]2)CCOCC1
InChIInChI=1S/C19H20N4O3/c24-19(10-12-25-13-11-19)17-21-18(23-22-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H2,20,21,22,23)
InChIKeyQYXUUONKOWLYEO-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.34
Rot. Bonds5

About 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol

4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol (PubChem CID 134806355) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol
PubChem CID134806355
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol
SMILESOC1(c2nc(Nc3ccc(Oc4ccccc4)cc3)n[nH]2)CCOCC1
InChIInChI=1S/C19H20N4O3/c24-19(10-12-25-13-11-19)17-21-18(23-22-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H2,20,21,22,23)
InChIKeyQYXUUONKOWLYEO-UHFFFAOYSA-N
XLogP3.34
TPSA92.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol?
The IUPAC name of 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol (CID 134806355) is 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol.
What is the SMILES notation for 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol?
The canonical SMILES for 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol is OC1(c2nc(Nc3ccc(Oc4ccccc4)cc3)n[nH]2)CCOCC1.
What is the InChIKey of 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol?
The InChIKey is QYXUUONKOWLYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-19(10-12-25-13-11-19)17-21-18(23-22-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,24H,10-13H2,(H2,20,21,22,23).
What are the key properties of 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol?
4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol has a molecular weight of 352.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenoxyanilino)-1H-1,2,4-triazol-5-yl]oxan-4-ol is sourced from PubChem (CID 134806355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).