3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

C18H12F3N3O4 — CID 142412743

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1
InChIInChI=1S/C18H12F3N3O4/c1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21/h2-8H,9H2,1H3
InChIKeyCPSPLVDTGIGBII-UHFFFAOYSA-N
MW391.31 g/mol
LogP3.90
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one

3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 142412743) has the molecular formula C18H12F3N3O4 and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID142412743
Molecular FormulaC18H12F3N3O4
Molecular Weight391.31 g/mol
Exact Mass391.08
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1
InChIInChI=1S/C18H12F3N3O4/c1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21/h2-8H,9H2,1H3
InChIKeyCPSPLVDTGIGBII-UHFFFAOYSA-N
XLogP3.90
TPSA83.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 142412743) is 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is Cc1cc(Cn2c(=O)oc3ccc(-c4ccc(OC(F)(F)F)cc4)nc32)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is CPSPLVDTGIGBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O4/c1-10-8-12(23-28-10)9-24-16-15(26-17(24)25)7-6-14(22-16)11-2-4-13(5-3-11)27-18(19,20)21/h2-8H,9H2,1H3.
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one?
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 391.31 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 142412743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).