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

C25H24N2O3 — CID 17127526

IUPAC3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(14-21)24(28)26-20-12-13-23-22(15-20)27-25(30-23)18-10-8-17(9-11-18)16(2)3/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyLTGQYNSNLCBMHQ-UHFFFAOYSA-N
MW400.48 g/mol
LogP6.27
Rot. Bonds6

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

3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (PubChem CID 17127526) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
PubChem CID17127526
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1
InChIInChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(14-21)24(28)26-20-12-13-23-22(15-20)27-25(30-23)18-10-8-17(9-11-18)16(2)3/h5-16H,4H2,1-3H3,(H,26,28)
InChIKeyLTGQYNSNLCBMHQ-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-[3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 7325876
3-[(2S)-butan-2-yl]oxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 40864969
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3-ethoxybenzamide
CID 3400845
3-methyl-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127491
3-ethoxy-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide
CID 1337004
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-ethoxybenzamide
CID 3285885
N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-ethoxybenzamide
CID 2283360
N-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 17128533
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-propoxybenzamide
CID 23855856

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide (CID 17127526) is 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1.
What is the InChIKey of 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
The InChIKey is LTGQYNSNLCBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-4-29-21-7-5-6-19(14-21)24(28)26-20-12-13-23-22(15-20)27-25(30-23)18-10-8-17(9-11-18)16(2)3/h5-16H,4H2,1-3H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide?
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]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-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide is sourced from PubChem (CID 17127526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).