(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

C37H27F6N5O9 — CID 159373978

IUPAC(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
SMILESCc1cc(CO)on1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
InChIInChI=1S/C18H12F3N3O4.C14H8F3NO3.C5H7NO2/c1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-2-5(3-7)8-6-4/h2-8H,9H2,1H3;1-6H,7H2;2,7H,3H2,1H3
InChIKeyLKBUFTJNFRNNHY-UHFFFAOYSA-N
MW799.64 g/mol
LogP7.48
Rot. Bonds7

About (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

(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 (PubChem CID 159373978) has the molecular formula C37H27F6N5O9 and a molecular weight of 799.64 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159373978
Molecular FormulaC37H27F6N5O9
Molecular Weight799.64 g/mol
Exact Mass799.17
IUPAC Name(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
SMILESCc1cc(CO)on1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1
InChIInChI=1S/C18H12F3N3O4.C14H8F3NO3.C5H7NO2/c1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-2-5(3-7)8-6-4/h2-8H,9H2,1H3;1-6H,7H2;2,7H,3H2,1H3
InChIKeyLKBUFTJNFRNNHY-UHFFFAOYSA-N
XLogP7.48
TPSA177.97 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500799.64
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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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
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(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
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(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
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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
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(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
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(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
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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
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propan-2-ol;3-propan-2-yl-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
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(2-methylpyrazol-3-yl)methanol;3-[(2-methylpyrazol-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
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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
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(CO)on1.Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)on1.O=C1Cc2nc(-c3ccc(OC(F)(F)F)cc3)ccc2O1.
What is the InChIKey of (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?
The InChIKey is LKBUFTJNFRNNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4.C14H8F3NO3.C5H7NO2/c1-10-8-13(28-23-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-12(5-3-11)27-18(19,20)21;15-14(16,17)21-9-3-1-8(2-4-9)10-5-6-12-11(18-10)7-13(19)20-12;1-4-2-5(3-7)8-6-4/h2-8H,9H2,1H3;1-6H,7H2;2,7H,3H2,1H3.
What are the key properties of (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?
(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 has a molecular weight of 799.64 g/mol, XLogP of 7.48, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 159373978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).