3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

C25H24N2O4 — CID 1363581

IUPAC3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-4-29-20-13-18(14-21(15-20)30-5-2)24(28)26-19-9-7-17(8-10-19)25-27-22-11-6-16(3)12-23(22)31-25/h6-15H,4-5H2,1-3H3,(H,26,28)
InChIKeyWFQSPLAFTNVYLM-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.85
Rot. Bonds7

About 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide

3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 1363581) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID1363581
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1
InChIInChI=1S/C25H24N2O4/c1-4-29-20-13-18(14-21(15-20)30-5-2)24(28)26-19-9-7-17(8-10-19)25-27-22-11-6-16(3)12-23(22)31-25/h6-15H,4-5H2,1-3H3,(H,26,28)
InChIKeyWFQSPLAFTNVYLM-UHFFFAOYSA-N
XLogP5.85
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17027171
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 17100800
N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-4-ethoxybenzamide
CID 1361397
2-ethoxy-N-[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]benzamide
CID 9320899
2,3,4,5,6-pentafluoro-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 3363557
(E)-N,N'-bis[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]but-2-enediamide
CID 101118961
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
CID 3100050
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17018342
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2,2-diphenylacetamide
CID 4244780
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 1363581) is 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1.
What is the InChIKey of 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is WFQSPLAFTNVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-4-29-20-13-18(14-21(15-20)30-5-2)24(28)26-19-9-7-17(8-10-19)25-27-22-11-6-16(3)12-23(22)31-25/h6-15H,4-5H2,1-3H3,(H,26,28).
What are the key properties of 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide?
3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 5.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 1363581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).