4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol

C19H23N3O2 — CID 67812640

IUPAC4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol
SMILESOC1=COCCN1CCC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-19-14-24-12-11-21(19)10-9-15-5-4-8-18-17(15)13-20-22(18)16-6-2-1-3-7-16/h1-3,6-7,13-15,23H,4-5,8-12H2
InChIKeyFYOBVGQTAPLILO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol

4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol (PubChem CID 67812640) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol.

Molecular Properties

Compound Name4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol
PubChem CID67812640
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol
SMILESOC1=COCCN1CCC1CCCc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H23N3O2/c23-19-14-24-12-11-21(19)10-9-15-5-4-8-18-17(15)13-20-22(18)16-6-2-1-3-7-16/h1-3,6-7,13-15,23H,4-5,8-12H2
InChIKeyFYOBVGQTAPLILO-UHFFFAOYSA-N
XLogP3.37
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol?
The IUPAC name of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol (CID 67812640) is 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol.
What is the SMILES notation for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol?
The canonical SMILES for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol is OC1=COCCN1CCC1CCCc2c1cnn2-c1ccccc1.
What is the InChIKey of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol?
The InChIKey is FYOBVGQTAPLILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19-14-24-12-11-21(19)10-9-15-5-4-8-18-17(15)13-20-22(18)16-6-2-1-3-7-16/h1-3,6-7,13-15,23H,4-5,8-12H2.
What are the key properties of 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol?
4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol has a molecular weight of 325.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethyl]-2,3-dihydro-1,4-oxazin-5-ol is sourced from PubChem (CID 67812640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).