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

C20H20FN3O3 — CID 91485909

IUPAC(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1CCC2(C=C(c3ccccc3)NO2)CC1
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/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyRZXRFVJWWGQIBC-UHFFFAOYSA-N
MW369.40 g/mol
LogP3.70
Rot. Bonds3

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

(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate (PubChem CID 91485909) 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-3-en-8-yl) N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate
PubChem CID91485909
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)ON1CCC2(C=C(c3ccccc3)NO2)CC1
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/h1-9,14,23H,10-13H2,(H,22,25)
InChIKeyRZXRFVJWWGQIBC-UHFFFAOYSA-N
XLogP3.70
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
CID 3040746
2(3H)-Oxazolone, 4-phenyl-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
CID 3040759
2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-
CID 3078362
2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-
CID 3078366
(1-benzylpiperidin-4-yl) N-phenylcarbamate
CID 15233435
2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, monohydrochloride
CID 3078360
2(3H)-Oxazolone, 4-(4-fluorophenyl)-5-(3-(4-phenyl-1-piperazinyl)propyl)-, monohydrochloride
CID 3078389
4-(4-fluorophenyl)-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-3H-1,3-oxazol-2-one
CID 3078361
4-(4-fluorophenyl)-5-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,3-oxazol-2-one
CID 3078390
Tert-butyl 4-[4-[(2-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162647853
Tert-butyl 4-[4-[(3-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162671272
Tert-butyl 4-[4-[(4-fluorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162673496

Frequently Asked Questions

What is the IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate?
The IUPAC name of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate (CID 91485909) is (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate.
What is the SMILES notation for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate?
The canonical SMILES for (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)ON1CCC2(C=C(c3ccccc3)NO2)CC1.
What is the InChIKey of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate?
The InChIKey is RZXRFVJWWGQIBC-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/h1-9,14,23H,10-13H2,(H,22,25).
What are the key properties of (3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate?
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-3-en-8-yl) N-(2-fluorophenyl)carbamate has a molecular weight of 369.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 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-3-en-8-yl) N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 91485909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).