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

C25H24N2O3 — CID 7325876

IUPAC3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-10-6-7-18(14-21)24(28)26-20-9-5-8-19(13-20)25-27-22-15-17(16(2)3)11-12-23(22)30-25/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyKWRCUVAIGCJROJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.27
Rot. Bonds6

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

3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (PubChem CID 7325876) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
PubChem CID7325876
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-10-6-7-18(14-21)24(28)26-20-9-5-8-19(13-20)25-27-22-15-17(16(2)3)11-12-23(22)30-25/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyKWRCUVAIGCJROJ-UHFFFAOYSA-N
XLogP6.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
4-ethyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 15987513
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
3-ethoxy-N-[[2-methoxy-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
CID 5108509
3-[(2S)-butan-2-yl]oxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 40864969
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-methylbenzamide
CID 40613949
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 23855856
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885
N-[3-[5-[(2R)-butan-2-yl]-1,3-benzoxazol-2-yl]phenyl]-3-chlorobenzamide
CID 7596290
N-[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]-3-methoxybenzamide
CID 1364095
3-methyl-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 23766038
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propan-2-yloxybenzamide
CID 23792127

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide (CID 7325876) is 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1.
What is the InChIKey of 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
The InChIKey is KWRCUVAIGCJROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-29-21-10-6-7-18(14-21)24(28)26-20-9-5-8-19(13-20)25-27-22-15-17(16(2)3)11-12-23(22)30-25/h5-16H,4H2,1-3H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide?
3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 7325876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).