(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate

C20H20FN3O3 — CID 69279384

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H20FN3O3/c21-16-6-8-17(9-7-16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,25)
InChIKeyWSENJASNZLVHHA-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-(4-fluorophenyl)carbamate

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate (PubChem CID 69279384) 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-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate
PubChem CID69279384
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-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)ON1CCC2(CC1)CC(c1ccccc1)=NO2
InChIInChI=1S/C20H20FN3O3/c21-16-6-8-17(9-7-16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,25)
InChIKeyWSENJASNZLVHHA-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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Related Compounds

[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-fluorophenyl)carbamate
CID 69278785
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
CID 69279859
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(3-methylsulfanylphenyl)carbamate
CID 69278100
[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-methylsulfanylphenyl)carbamate
CID 69278817
[3-(4-propan-2-ylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(4-tert-butylphenyl)carbamate
CID 69296624
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-methylphenyl)carbamate
CID 69278754
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-methylsulfanylphenyl)carbamate
CID 69278132
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[2-(trifluoromethyl)phenyl]carbamate
CID 69279315
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate
CID 69277979
3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxylic acid
CID 69317469
[3-[4-(trifluoromethyl)phenyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-cyclohexylcarbamate
CID 69278783
1-[3-(4-fluorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]propan-1-one
CID 123292550

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate (CID 69279384) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)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-(4-fluorophenyl)carbamate?
The InChIKey is WSENJASNZLVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-16-6-8-17(9-7-16)22-19(25)26-24-12-10-20(11-13-24)14-18(23-27-20)15-4-2-1-3-5-15/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-(4-fluorophenyl)carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-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-(4-fluorophenyl)carbamate is sourced from PubChem (CID 69279384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).