10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C29H31F3N4O6 — CID 169236717

IUPAC10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCC1CCC2(CC(=O)N(CC3CCOCC3)O2)C2CN1C(=O)c1cc(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12
InChIInChI=1S/C29H31F3N4O6/c1-16-2-5-29(11-26(38)36(42-29)13-17-3-6-41-7-4-17)25-15-34(16)28(40)23-10-24(37)20(14-35(23)25)27(39)33-12-19-21(31)8-18(30)9-22(19)32/h8-10,14,16-17,25H,2-7,11-13,15H2,1H3,(H,33,39)
InChIKeyDRWZKZOBBSBCMU-UHFFFAOYSA-N
MW588.58 g/mol
LogP2.70
Rot. Bonds5

About 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 169236717) has the molecular formula C29H31F3N4O6 and a molecular weight of 588.58 g/mol. Its IUPAC name is 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound Name10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID169236717
Molecular FormulaC29H31F3N4O6
Molecular Weight588.58 g/mol
Exact Mass588.22
IUPAC Name10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCC1CCC2(CC(=O)N(CC3CCOCC3)O2)C2CN1C(=O)c1cc(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12
InChIInChI=1S/C29H31F3N4O6/c1-16-2-5-29(11-26(38)36(42-29)13-17-3-6-41-7-4-17)25-15-34(16)28(40)23-10-24(37)20(14-35(23)25)27(39)33-12-19-21(31)8-18(30)9-22(19)32/h8-10,14,16-17,25H,2-7,11-13,15H2,1H3,(H,33,39)
InChIKeyDRWZKZOBBSBCMU-UHFFFAOYSA-N
XLogP2.70
TPSA110.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.58
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide with MolForge

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Related Compounds

(1'R,5S,10'S)-2-ethyl-10'-methyl-3,5',8'-trioxo-6'-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314351
(1'R,5S,10'S)-6'-methoxy-10'-methyl-3,5',8'-trioxo-2-[(1S)-1-phenylethyl]-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314498
(1R,10S,13S)-3'-(difluoromethyl)-6-hydroxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314857
(1R,10S,13S)-6-hydroxy-10-methyl-3'-methylsulfanyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314477
(1R,10S,13R)-6-butoxy-10-methyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,2'-oxirane]-4-carboxamide
CID 164757471
(1'R,5R,10'S)-6'-butoxy-10'-methyl-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314890
10,13-dimethyl-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-1,2,9-triazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 175768893
6'-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236848
(1R,10R,13S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6-hydroxy-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 170314680
(1R,10S,13S)-6-hydroxy-10-methyl-5,8-dioxo-3'-pyrazol-1-yl-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314422
(1R,10S,13S)-6-hydroxy-10-methyl-5,8-dioxo-3'-(triazol-1-yl)-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314428
(1R,10S,13S)-6-methoxy-10-methyl-5,8-dioxo-3'-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314384

Frequently Asked Questions

What is the IUPAC name of 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 169236717) is 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.
What is the SMILES notation for 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is CC1CCC2(CC(=O)N(CC3CCOCC3)O2)C2CN1C(=O)c1cc(=O)c(C(=O)NCc3c(F)cc(F)cc3F)cn12.
What is the InChIKey of 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is DRWZKZOBBSBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N4O6/c1-16-2-5-29(11-26(38)36(42-29)13-17-3-6-41-7-4-17)25-15-34(16)28(40)23-10-24(37)20(14-35(23)25)27(39)33-12-19-21(31)8-18(30)9-22(19)32/h8-10,14,16-17,25H,2-7,11-13,15H2,1H3,(H,33,39).
What are the key properties of 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 588.58 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-methyl-2-(oxan-4-ylmethyl)-3,5',8'-trioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 169236717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).