N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide

C25H24N2O3 — CID 1496962

IUPACN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1
InChIInChI=1S/C25H24N2O3/c1-5-29-19-11-9-18(10-12-19)24(28)26-21-8-6-7-20(17(21)4)25-27-22-14-15(2)13-16(3)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28)
InChIKeyHHEGRQLBIHDWOF-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.07
Rot. Bonds5

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide (PubChem CID 1496962) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
PubChem CID1496962
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1
InChIInChI=1S/C25H24N2O3/c1-5-29-19-11-9-18(10-12-19)24(28)26-21-8-6-7-20(17(21)4)25-27-22-14-15(2)13-16(3)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28)
InChIKeyHHEGRQLBIHDWOF-UHFFFAOYSA-N
XLogP6.07
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3,5-dimethylbenzamide
CID 2210002
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 1139375
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(3,4-dimethylphenoxy)acetamide
CID 1496969
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-3-ethoxybenzamide
CID 1364099
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]thiophene-2-carboxamide
CID 2279444
2-(4-chloro-2-methylphenoxy)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]acetamide
CID 2281645
4-chloro-N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylphenyl]benzamide
CID 23931543
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide;hydrate
CID 21211925
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methoxybenzamide
CID 1215864
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide (CID 1496962) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1.
What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
The InChIKey is HHEGRQLBIHDWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-5-29-19-11-9-18(10-12-19)24(28)26-21-8-6-7-20(17(21)4)25-27-22-14-15(2)13-16(3)23(22)30-25/h6-14H,5H2,1-4H3,(H,26,28).
What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide?
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide has a molecular weight of 400.48 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide is sourced from PubChem (CID 1496962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).