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

C21H22FN3O3 — CID 69278819

IUPAC[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate
SMILESCc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4F)CC3)C2)cc1
InChIInChI=1S/C21H22FN3O3/c1-15-6-8-16(9-7-15)19-14-21(28-24-19)10-12-25(13-11-21)27-20(26)23-18-5-3-2-4-17(18)22/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyRIOWKFMZAVRIPQ-UHFFFAOYSA-N
MW383.42 g/mol
LogP4.26
Rot. Bonds3

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

[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate (PubChem CID 69278819) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate
PubChem CID69278819
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate
SMILESCc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4F)CC3)C2)cc1
InChIInChI=1S/C21H22FN3O3/c1-15-6-8-16(9-7-15)19-14-21(28-24-19)10-12-25(13-11-21)27-20(26)23-18-5-3-2-4-17(18)22/h2-9H,10-14H2,1H3,(H,23,26)
InChIKeyRIOWKFMZAVRIPQ-UHFFFAOYSA-N
XLogP4.26
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate?
The IUPAC name of [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate (CID 69278819) is [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate.
What is the SMILES notation for [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate?
The canonical SMILES for [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate is Cc1ccc(C2=NOC3(CCN(OC(=O)Nc4ccccc4F)CC3)C2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate?
The InChIKey is RIOWKFMZAVRIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3/c1-15-6-8-16(9-7-15)19-14-21(28-24-19)10-12-25(13-11-21)27-20(26)23-18-5-3-2-4-17(18)22/h2-9H,10-14H2,1H3,(H,23,26).
What are the key properties of [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate?
[3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate has a molecular weight of 383.42 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 69278819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).