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

C35H29F6N3O9 — CID 158552639

IUPACoxetan-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
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1COC1.OCC1COC1
InChIInChI=1S/C17H13F3N2O4.C14H8F3NO3.C4H8O2/c18-17(19,20)26-12-3-1-11(2-4-12)13-5-6-14-15(21-13)22(16(23)25-14)7-10-8-24-9-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;5-1-4-2-6-3-4/h1-6,10H,7-9H2;1-6H,7H2;4-5H,1-3H2
InChIKeyHPXIMCAIFMBZDX-UHFFFAOYSA-N
MW749.62 g/mol
LogP5.94
Rot. Bonds7

About 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

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 (PubChem CID 158552639) has the molecular formula C35H29F6N3O9 and a molecular weight of 749.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameoxetan-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
PubChem CID158552639
Molecular FormulaC35H29F6N3O9
Molecular Weight749.62 g/mol
Exact Mass749.18
IUPAC Nameoxetan-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
SMILESO=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1COC1.OCC1COC1
InChIInChI=1S/C17H13F3N2O4.C14H8F3NO3.C4H8O2/c18-17(19,20)26-12-3-1-11(2-4-12)13-5-6-14-15(21-13)22(16(23)25-14)7-10-8-24-9-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;5-1-4-2-6-3-4/h1-6,10H,7-9H2;1-6H,7H2;4-5H,1-3H2
InChIKeyHPXIMCAIFMBZDX-UHFFFAOYSA-N
XLogP5.94
TPSA144.37 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500749.62
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Related Compounds

3-(Oxolan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412673
3-[2-Oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoic acid
CID 142412709
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
CID 142412723
3-[[(3S)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412724
3-(3-Hydroxypropyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412762
3-[[(3S)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412812
3-(Oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412826
3-(Oxan-4-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one;3-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412845
3-[[(3R)-oxolan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412856
3-(Oxan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412876
3-[[(3R)-oxan-3-yl]methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613028
2-Methylpropyl 3-[2-oxo-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-3-yl]propanoate
CID 155042067

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.O=c1oc2ccc(-c3ccc(OC(F)(F)F)cc3)nc2n1CC1COC1.OCC1COC1.
What is the InChIKey of 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?
The InChIKey is HPXIMCAIFMBZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4.C14H8F3NO3.C4H8O2/c18-17(19,20)26-12-3-1-11(2-4-12)13-5-6-14-15(21-13)22(16(23)25-14)7-10-8-24-9-10;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;5-1-4-2-6-3-4/h1-6,10H,7-9H2;1-6H,7H2;4-5H,1-3H2.
What are the key properties of 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?
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 has a molecular weight of 749.62 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158552639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).