(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate

C20H20FN3O3 — CID 69278494

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H20FN3O3/c21-16-8-4-5-9-17(16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)
InChIKeyKBOUNGVWMPBPDP-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.95
Rot. Bonds3

About (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate (PubChem CID 69278494) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate
PubChem CID69278494
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H20FN3O3/c21-16-8-4-5-9-17(16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25)
InChIKeyKBOUNGVWMPBPDP-UHFFFAOYSA-N
XLogP3.95
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate (CID 69278494) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)ON1CCC2(CC1)CC(c1ccccc1)=NO2.
What is the InChIKey of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate?
The InChIKey is KBOUNGVWMPBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-8-4-5-9-17(16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,25).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate has a molecular weight of 369.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 69278494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).