1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one

C22H18N2O3 — CID 16736010

IUPAC1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
InChIInChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
InChIKeyHEIXLGZCGUTTNY-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.62
Rot. Bonds7

About 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one

1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one (PubChem CID 16736010) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one
PubChem CID16736010
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one
SMILESO=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1
InChIInChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2
InChIKeyHEIXLGZCGUTTNY-UHFFFAOYSA-N
XLogP4.62
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one?
The IUPAC name of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one (CID 16736010) is 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one.
What is the SMILES notation for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one?
The canonical SMILES for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one is O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1.
What is the InChIKey of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one?
The InChIKey is HEIXLGZCGUTTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-19(22-24-21-20(27-22)7-4-14-23-21)13-10-16-8-11-18(12-9-16)26-15-17-5-2-1-3-6-17/h1-9,11-12,14H,10,13,15H2.
What are the key properties of 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one?
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one has a molecular weight of 358.40 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3-(4-phenylmethoxyphenyl)propan-1-one is sourced from PubChem (CID 16736010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).