8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

C19H20FN3O — CID 162674490

IUPAC8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESFc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)cc1
InChIInChI=1S/C19H20FN3O/c20-17-8-6-16(7-9-17)18-21-19(24-22-18)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyGNWPGNHCPHHUNU-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.10
Rot. Bonds3

About 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene

8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (PubChem CID 162674490) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
PubChem CID162674490
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene
SMILESFc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)cc1
InChIInChI=1S/C19H20FN3O/c20-17-8-6-16(7-9-17)18-21-19(24-22-18)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)
InChIKeyGNWPGNHCPHHUNU-UHFFFAOYSA-N
XLogP3.10
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The IUPAC name of 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene (CID 162674490) is 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene.
What is the SMILES notation for 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The canonical SMILES for 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is Fc1ccc(C2=NC3(CCN(Cc4ccccc4)CC3)ON2)cc1.
What is the InChIKey of 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
The InChIKey is GNWPGNHCPHHUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-17-8-6-16(7-9-17)18-21-19(24-22-18)10-12-23(13-11-19)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22).
What are the key properties of 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene?
8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene has a molecular weight of 325.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-3-(4-fluorophenyl)-1-oxa-2,4,8-triazaspiro[4.5]dec-3-ene is sourced from PubChem (CID 162674490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).