6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C19H18N4O2 — CID 121375770

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,20,21,24)
InChIKeyAPRGMMLUYNSKSI-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.61
Rot. Bonds3

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

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 121375770) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID121375770
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1
InChIInChI=1S/C19H18N4O2/c1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,20,21,24)
InChIKeyAPRGMMLUYNSKSI-UHFFFAOYSA-N
XLogP3.61
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 121375770) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is Cc1noc(C)c1-c1cnc2[nH]c(=O)n(C(C)c3ccccc3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is APRGMMLUYNSKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-11-17(13(3)25-22-11)15-9-16-18(20-10-15)21-19(24)23(16)12(2)14-7-5-4-6-8-14/h4-10,12H,1-3H3,(H,20,21,24).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1-phenylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 121375770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).