2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H13F3N4O3 — CID 56596030

IUPAC2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)o1
InChIInChI=1S/C18H13F3N4O3/c1-11-8-22-16(27-11)10-25-17(26)24-9-13(4-7-15(24)23-25)12-2-5-14(6-3-12)28-18(19,20)21/h2-9H,10H2,1H3
InChIKeyXODNHLRRHIVGBX-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.41
Rot. Bonds4

About 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 56596030) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID56596030
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)o1
InChIInChI=1S/C18H13F3N4O3/c1-11-8-22-16(27-11)10-25-17(26)24-9-13(4-7-15(24)23-25)12-2-5-14(6-3-12)28-18(19,20)21/h2-9H,10H2,1H3
InChIKeyXODNHLRRHIVGBX-UHFFFAOYSA-N
XLogP3.41
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 56596030) is 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1cnc(Cn2nc3ccc(-c4ccc(OC(F)(F)F)cc4)cn3c2=O)o1.
What is the InChIKey of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is XODNHLRRHIVGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c1-11-8-22-16(27-11)10-25-17(26)24-9-13(4-7-15(24)23-25)12-2-5-14(6-3-12)28-18(19,20)21/h2-9H,10H2,1H3.
What are the key properties of 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 390.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 56596030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).