1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one

C17H16N2O3 — CID 19990516

IUPAC1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one
SMILESCCCC(=O)c1ccnc2nc(-c3ccccc3OC)oc12
InChIInChI=1S/C17H16N2O3/c1-3-6-13(20)11-9-10-18-16-15(11)22-17(19-16)12-7-4-5-8-14(12)21-2/h4-5,7-10H,3,6H2,1-2H3
InChIKeySEEAPZDACPEMAI-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.88
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one

1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one (PubChem CID 19990516) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one
PubChem CID19990516
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one
SMILESCCCC(=O)c1ccnc2nc(-c3ccccc3OC)oc12
InChIInChI=1S/C17H16N2O3/c1-3-6-13(20)11-9-10-18-16-15(11)22-17(19-16)12-7-4-5-8-14(12)21-2/h4-5,7-10H,3,6H2,1-2H3
InChIKeySEEAPZDACPEMAI-UHFFFAOYSA-N
XLogP3.88
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 58285138
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 3359112
[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl] propane-1-sulfonate
CID 42813763
methyl 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate
CID 59167805
1-[2-(2-methoxyphenyl)-1,3-oxazol-5-yl]ethanone
CID 115087217
2-(2-methoxyphenyl)-8-methyl-3,1-benzoxazin-4-one
CID 11149809
2-hydroxyethyl 2-(2-methoxyphenyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 147326313
N-butyl-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391649
CID 70867691
CID 70867691
[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
CID 174895462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one (CID 19990516) is 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one is CCCC(=O)c1ccnc2nc(-c3ccccc3OC)oc12.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one?
The InChIKey is SEEAPZDACPEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-6-13(20)11-9-10-18-16-15(11)22-17(19-16)12-7-4-5-8-14(12)21-2/h4-5,7-10H,3,6H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one?
1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one has a molecular weight of 296.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-[1,3]oxazolo[4,5-b]pyridin-7-yl]butan-1-one is sourced from PubChem (CID 19990516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).