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

C23H20N2O4 — CID 4587996

IUPAC4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1
InChIInChI=1S/C23H20N2O4/c1-3-28-19-11-4-15(5-12-19)22(26)24-17-8-13-21-20(14-17)25-23(29-21)16-6-9-18(27-2)10-7-16/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyBBDRLZQZXMSWOV-UHFFFAOYSA-N
MW388.42 g/mol
LogP5.15
Rot. Bonds6

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

4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 4587996) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID4587996
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1
InChIInChI=1S/C23H20N2O4/c1-3-28-19-11-4-15(5-12-19)22(26)24-17-8-13-21-20(14-17)25-23(29-21)16-6-9-18(27-2)10-7-16/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyBBDRLZQZXMSWOV-UHFFFAOYSA-N
XLogP5.15
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.42
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 4587996) is 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is BBDRLZQZXMSWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-28-19-11-4-15(5-12-19)22(26)24-17-8-13-21-20(14-17)25-23(29-21)16-6-9-18(27-2)10-7-16/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide?
4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 4587996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).