2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide

C23H20N2O3 — CID 9320899

IUPAC2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1
InChIInChI=1S/C23H20N2O3/c1-3-27-20-7-5-4-6-18(20)22(26)24-17-12-13-19-21(14-17)28-23(25-19)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyATZRSXKILGWUNF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.45
Rot. Bonds5

About 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide

2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide (PubChem CID 9320899) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
PubChem CID9320899
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1
InChIInChI=1S/C23H20N2O3/c1-3-27-20-7-5-4-6-18(20)22(26)24-17-12-13-19-21(14-17)28-23(25-19)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,24,26)
InChIKeyATZRSXKILGWUNF-UHFFFAOYSA-N
XLogP5.45
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 86768124
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 1363581
3-bromo-4-ethoxy-N-[2-(4-ethylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 73254674
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
N-[4-(1,3-benzoxazol-2-yl)phenyl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888792
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-ethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46401841
2-methoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127516
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-methoxybenzamide
CID 1049579
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 3632936
2-(2-chlorophenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17131987

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide (CID 9320899) is 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide is CCOc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(C)cc3)oc2c1.
What is the InChIKey of 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
The InChIKey is ATZRSXKILGWUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-27-20-7-5-4-6-18(20)22(26)24-17-12-13-19-21(14-17)28-23(25-19)16-10-8-15(2)9-11-16/h4-14H,3H2,1-2H3,(H,24,26).
What are the key properties of 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide?
2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide has a molecular weight of 372.42 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide is sourced from PubChem (CID 9320899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).