2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one

C23H29F3N2O4 — CID 177299736

IUPAC2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one
SMILESO=C1COc2ccccc2C2CCC(CC2)OCC2N1CCCC21COC(C(F)(F)F)N1
InChIInChI=1S/C23H29F3N2O4/c24-23(25,26)21-27-22(14-32-21)10-3-11-28-19(22)12-30-16-8-6-15(7-9-16)17-4-1-2-5-18(17)31-13-20(28)29/h1-2,4-5,15-16,19,21,27H,3,6-14H2
InChIKeyGTITVSYEBDMKEZ-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.36
Rot. Bonds

About 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one

2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one (PubChem CID 177299736) has the molecular formula C23H29F3N2O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one.

Molecular Properties

Compound Name2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one
PubChem CID177299736
Molecular FormulaC23H29F3N2O4
Molecular Weight454.49 g/mol
Exact Mass454.21
IUPAC Name2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one
SMILESO=C1COc2ccccc2C2CCC(CC2)OCC2N1CCCC21COC(C(F)(F)F)N1
InChIInChI=1S/C23H29F3N2O4/c24-23(25,26)21-27-22(14-32-21)10-3-11-28-19(22)12-30-16-8-6-15(7-9-16)17-4-1-2-5-18(17)31-13-20(28)29/h1-2,4-5,15-16,19,21,27H,3,6-14H2
InChIKeyGTITVSYEBDMKEZ-UHFFFAOYSA-N
XLogP3.36
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one with MolForge

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Related Compounds

(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
CID 174260492
8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
CID 170605485
(15S,16R)-15-(2-fluoroanilino)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-10-one
CID 171646547
(10S,15S,16R)-10-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
CID 170605616
12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
CID 174262169
(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
CID 170605560
(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
CID 174260667
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281
(2S)-1,1,1-trifluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 167117757
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543
3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
CID 177299744

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one?
The IUPAC name of 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one (CID 177299736) is 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one.
What is the SMILES notation for 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one?
The canonical SMILES for 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one is O=C1COc2ccccc2C2CCC(CC2)OCC2N1CCCC21COC(C(F)(F)F)N1.
What is the InChIKey of 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one?
The InChIKey is GTITVSYEBDMKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N2O4/c24-23(25,26)21-27-22(14-32-21)10-3-11-28-19(22)12-30-16-8-6-15(7-9-16)17-4-1-2-5-18(17)31-13-20(28)29/h1-2,4-5,15-16,19,21,27H,3,6-14H2.
What are the key properties of 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one?
2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one has a molecular weight of 454.49 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one is sourced from PubChem (CID 177299736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).