methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

C74H66F13N7O17S — CID 159967344

IUPACmethyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESCSF.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCCO1.OCC1CCCO1
InChIInChI=1S/3C18H15F3N2O4.C14H8F3NO3.C5H10O2.CH3FS/c3*19-18(20,21)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;6-4-5-2-1-3-7-5;1-3-2/h3*3-8,13H,1-2,9-10H2;1-6H,7H2;5-6H,1-4H2;1H3/t2*13-;;;;/m10..../s1
InChIKeyOECICSMDUTUPOL-DQSIVEHISA-N
MW1604.41 g/mol
LogP15.70
Rot. Bonds15

About methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one

methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (PubChem CID 159967344) has the molecular formula C74H66F13N7O17S and a molecular weight of 1604.41 g/mol. Its IUPAC name is methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Namemethyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
PubChem CID159967344
Molecular FormulaC74H66F13N7O17S
Molecular Weight1604.41 g/mol
Exact Mass1603.40
IUPAC Namemethyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
SMILESCSF.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCCO1.OCC1CCCO1
InChIInChI=1S/3C18H15F3N2O4.C14H8F3NO3.C5H10O2.CH3FS/c3*19-18(20,21)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;6-4-5-2-1-3-7-5;1-3-2/h3*3-8,13H,1-2,9-10H2;1-6H,7H2;5-6H,1-4H2;1H3/t2*13-;;;;/m10..../s1
InChIKeyOECICSMDUTUPOL-DQSIVEHISA-N
XLogP15.70
TPSA277.35 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.41
LogP ≤ 515.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one with MolForge

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Related Compounds

(2-methyl-1,3-oxazol-4-yl)methanol;3-[(2-methyl-1,3-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157197829
methyl thiohypofluorite;oxolan-3-ylmethanol;3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157340756
(5-methyl-1,2-oxazol-3-yl)methanol;3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157403737
(3,5-dimethyl-1,2-oxazol-4-yl)methanol;3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157529430
pyrimidin-4-ylmethanol;3-(pyrimidin-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157583953
2-pyrimidin-2-ylethanol;3-(2-pyrimidin-2-ylethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 157728357
oxetan-3-ylmethanol;3-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 158552639
pyrimidin-5-ylmethanol;3-(pyrimidin-5-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 158882748
(1-methylpyrazol-4-yl)methanol;3-[(1-methylpyrazol-4-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 158999207
(5-methyl-1,2,4-oxadiazol-3-yl)methanol;3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 159253733
(3-methyl-1,2-oxazol-5-yl)methanol;3-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 159373978
1,1,2,2,2-pentadeuterioethanol;3-(1,1,2,2,2-pentadeuterioethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one
CID 159604662

Frequently Asked Questions

What is the IUPAC name of methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The IUPAC name of methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one (CID 159967344) is methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one.
What is the SMILES notation for methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The canonical SMILES for methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is CSF.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@@H]1CCCO1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1C[C@H]1CCCO1.OCC1CCCO1.
What is the InChIKey of methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
The InChIKey is OECICSMDUTUPOL-DQSIVEHISA-N. The full InChI is InChI=1S/3C18H15F3N2O4.C14H8F3NO3.C5H10O2.CH3FS/c3*19-18(20,21)27-12-5-3-11(4-6-12)14-7-8-15-16(22-14)23(17(24)26-15)10-13-2-1-9-25-13;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;6-4-5-2-1-3-7-5;1-3-2/h3*3-8,13H,1-2,9-10H2;1-6H,7H2;5-6H,1-4H2;1H3/t2*13-;;;;/m10..../s1.
What are the key properties of methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one?
methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one has a molecular weight of 1604.41 g/mol, XLogP of 15.70, 15 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiohypofluorite;oxolan-2-ylmethanol;3-[[(2R)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-[[(2S)-oxolan-2-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxolan-2-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;5-[4-(trifluoromethoxy)phenyl]-3H-furo[3,2-b]pyridin-2-one is sourced from PubChem (CID 159967344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).