3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

C21H17N3O3 — CID 1414353

IUPAC3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1
InChIInChI=1S/C21H17N3O3/c1-2-26-17-7-3-5-14(11-17)20(25)23-16-8-9-19-18(12-16)24-21(27-19)15-6-4-10-22-13-15/h3-13H,2H2,1H3,(H,23,25)
InChIKeyZWOPTFYRXIIHSB-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.54
Rot. Bonds5

About 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide

3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (PubChem CID 1414353) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
PubChem CID1414353
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1
InChIInChI=1S/C21H17N3O3/c1-2-26-17-7-3-5-14(11-17)20(25)23-16-8-9-19-18(12-16)24-21(27-19)15-6-4-10-22-13-15/h3-13H,2H2,1H3,(H,23,25)
InChIKeyZWOPTFYRXIIHSB-UHFFFAOYSA-N
XLogP4.54
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The IUPAC name of 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide (CID 1414353) is 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1.
What is the InChIKey of 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
The InChIKey is ZWOPTFYRXIIHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-2-26-17-7-3-5-14(11-17)20(25)23-16-8-9-19-18(12-16)24-21(27-19)15-6-4-10-22-13-15/h3-13H,2H2,1H3,(H,23,25).
What are the key properties of 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide?
3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide has a molecular weight of 359.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide is sourced from PubChem (CID 1414353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).