3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

C21H16ClN3O3 — CID 3239181

IUPAC3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4o3)c2)cc1Cl
InChIInChI=1S/C21H16ClN3O3/c1-2-27-18-9-8-13(12-16(18)22)19(26)24-15-6-3-5-14(11-15)20-25-17-7-4-10-23-21(17)28-20/h3-12H,2H2,1H3,(H,24,26)
InChIKeyKNRQWYZQUVVSRF-UHFFFAOYSA-N
MW393.83 g/mol
LogP5.19
Rot. Bonds5

About 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide

3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 3239181) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
PubChem CID3239181
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4o3)c2)cc1Cl
InChIInChI=1S/C21H16ClN3O3/c1-2-27-18-9-8-13(12-16(18)22)19(26)24-15-6-3-5-14(11-15)20-25-17-7-4-10-23-21(17)28-20/h3-12H,2H2,1H3,(H,24,26)
InChIKeyKNRQWYZQUVVSRF-UHFFFAOYSA-N
XLogP5.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.83
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide (CID 3239181) is 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4o3)c2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is KNRQWYZQUVVSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-2-27-18-9-8-13(12-16(18)22)19(26)24-15-6-3-5-14(11-15)20-25-17-7-4-10-23-21(17)28-20/h3-12H,2H2,1H3,(H,24,26).
What are the key properties of 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide?
3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 393.83 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 3239181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).