4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C24H22N2O3 — CID 1109008

IUPAC4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-3-16-5-14-22-21(15-16)26-24(29-22)18-6-10-19(11-7-18)25-23(27)17-8-12-20(13-9-17)28-4-2/h5-15H,3-4H2,1-2H3,(H,25,27)
InChIKeyXLQNPDPRVXIYDU-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.71
Rot. Bonds6

About 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 1109008) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID1109008
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-3-16-5-14-22-21(15-16)26-24(29-22)18-6-10-19(11-7-18)25-23(27)17-8-12-20(13-9-17)28-4-2/h5-15H,3-4H2,1-2H3,(H,25,27)
InChIKeyXLQNPDPRVXIYDU-UHFFFAOYSA-N
XLogP5.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 1109008) is 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is XLQNPDPRVXIYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-3-16-5-14-22-21(15-16)26-24(29-22)18-6-10-19(11-7-18)25-23(27)17-8-12-20(13-9-17)28-4-2/h5-15H,3-4H2,1-2H3,(H,25,27).
What are the key properties of 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1109008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).