(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C24H24F2N4O6 — CID 170169325

IUPAC(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCC1C(=O)[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O6/c1-11-5-6-24(21(33)12(2)30(36-24)8-13-3-4-14(25)7-16(13)26)17-10-28(11)23(35)18-20(32)19(31)15(22(27)34)9-29(17)18/h3-4,7,9,11-12,17,32H,5-6,8,10H2,1-2H3,(H2,27,34)/t11-,12?,17+,24+/m0/s1
InChIKeyIXEPOQCZIGYFAA-AZCQGALLSA-N
MW502.47 g/mol
LogP1.25
Rot. Bonds3

About (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170169325) has the molecular formula C24H24F2N4O6 and a molecular weight of 502.47 g/mol. Its IUPAC name is (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound Name(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID170169325
Molecular FormulaC24H24F2N4O6
Molecular Weight502.47 g/mol
Exact Mass502.17
IUPAC Name(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCC1C(=O)[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1ccc(F)cc1F
InChIInChI=1S/C24H24F2N4O6/c1-11-5-6-24(21(33)12(2)30(36-24)8-13-3-4-14(25)7-16(13)26)17-10-28(11)23(35)18-20(32)19(31)15(22(27)34)9-29(17)18/h3-4,7,9,11-12,17,32H,5-6,8,10H2,1-2H3,(H2,27,34)/t11-,12?,17+,24+/m0/s1
InChIKeyIXEPOQCZIGYFAA-AZCQGALLSA-N
XLogP1.25
TPSA135.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[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,4S,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-4,6'-dihydroxy-3,10'-dimethyl-5',8'-dioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170168717
2-[(2,4-difluorophenyl)methyl]-4-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170168616
(1'R,5S,10'S)-6'-hydroxy-3,10'-dimethyl-5',8'-dioxo-2-[(2,4,6-trifluorophenyl)methyl]spiro[1,4,2-oxathiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169694
(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170305155
(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170167856
(1'R,5S,10'S)-3-(dimethylamino)-6'-hydroxy-10'-methyl-5',8'-dioxo-2-[(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 170169621
(1'R,5R,10'S)-6'-hydroxy-10'-methyl-2,5',8'-trioxo-3-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170169159
(1'R,5R,10'S)-N-[(2,4-difluorophenyl)methyl]-3-ethyl-6'-hydroxy-10'-methyl-5',8'-dioxospiro[1,4,2-dioxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314442
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-6-hydroxy-10-methyl-5,8-dioxo-3'-(trideuteriomethoxy)spiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314883
(1'R,5R,10'S,11'R)-2-[(2,4-difluorophenyl)methyl]-11'-hydroxy-3,10'-dimethyl-5',8'-dioxo-6'-phenylmethoxyspiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 170170267
(1'R,5R,10'S)-6'-butoxy-N-[(2,4-difluorophenyl)methyl]-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314555
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-6-(hydroxymethoxy)-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 176979964

Frequently Asked Questions

What is the IUPAC name of (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170169325) is (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[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 (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is CC1C(=O)[C@]2(CC[C@H](C)N3C[C@H]2n2cc(C(N)=O)c(=O)c(O)c2C3=O)ON1Cc1ccc(F)cc1F.
What is the InChIKey of (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is IXEPOQCZIGYFAA-AZCQGALLSA-N. The full InChI is InChI=1S/C24H24F2N4O6/c1-11-5-6-24(21(33)12(2)30(36-24)8-13-3-4-14(25)7-16(13)26)17-10-28(11)23(35)18-20(32)19(31)15(22(27)34)9-29(17)18/h3-4,7,9,11-12,17,32H,5-6,8,10H2,1-2H3,(H2,27,34)/t11-,12?,17+,24+/m0/s1.
What are the key properties of (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
(1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 502.47 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-hydroxy-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170169325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).