4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol

C16H16N4O3 — CID 138055901

IUPAC4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol
SMILESOC1(c2cc(-c3ccc(-n4cncn4)cc3)no2)CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(5-7-22-8-6-16)15-9-14(19-23-15)12-1-3-13(4-2-12)20-11-17-10-18-20/h1-4,9-11,21H,5-8H2
InChIKeyGFEUYNXHZVZMTA-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.92
Rot. Bonds3

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

4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol (PubChem CID 138055901) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol
PubChem CID138055901
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol
SMILESOC1(c2cc(-c3ccc(-n4cncn4)cc3)no2)CCOCC1
InChIInChI=1S/C16H16N4O3/c21-16(5-7-22-8-6-16)15-9-14(19-23-15)12-1-3-13(4-2-12)20-11-17-10-18-20/h1-4,9-11,21H,5-8H2
InChIKeyGFEUYNXHZVZMTA-UHFFFAOYSA-N
XLogP1.92
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol?
The IUPAC name of 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol (CID 138055901) is 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol.
What is the SMILES notation for 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol?
The canonical SMILES for 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol is OC1(c2cc(-c3ccc(-n4cncn4)cc3)no2)CCOCC1.
What is the InChIKey of 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol?
The InChIKey is GFEUYNXHZVZMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-16(5-7-22-8-6-16)15-9-14(19-23-15)12-1-3-13(4-2-12)20-11-17-10-18-20/h1-4,9-11,21H,5-8H2.
What are the key properties of 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol?
4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol has a molecular weight of 312.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1,2,4-triazol-1-yl)phenyl]-1,2-oxazol-5-yl]oxan-4-ol is sourced from PubChem (CID 138055901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).