1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

C18H13F3N4O2 — CID 134493911

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C18H13F3N4O2/c1-10-5-14(24-27-10)9-25-15-7-12(8-22-16(15)23-17(25)26)11-3-2-4-13(6-11)18(19,20)21/h2-8H,9H2,1H3,(H,22,23,26)
InChIKeyKJGVZHVOBOKEFT-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.76
Rot. Bonds3

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493911) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493911
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1
InChIInChI=1S/C18H13F3N4O2/c1-10-5-14(24-27-10)9-25-15-7-12(8-22-16(15)23-17(25)26)11-3-2-4-13(6-11)18(19,20)21/h2-8H,9H2,1H3,(H,22,23,26)
InChIKeyKJGVZHVOBOKEFT-UHFFFAOYSA-N
XLogP3.76
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134493911) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1cc(Cn2c(=O)[nH]c3ncc(-c4cccc(C(F)(F)F)c4)cc32)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KJGVZHVOBOKEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-10-5-14(24-27-10)9-25-15-7-12(8-22-16(15)23-17(25)26)11-3-2-4-13(6-11)18(19,20)21/h2-8H,9H2,1H3,(H,22,23,26).
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 374.32 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).