4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide

C26H28N4O3 — CID 71837292

IUPAC4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)c(C)c4C)c(C)o3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-6-32-23-13-9-20(10-14-23)25(31)27-22-11-7-21(8-12-22)26-28-24(19(5)33-26)15-30-18(4)16(2)17(3)29-30/h7-14H,6,15H2,1-5H3,(H,27,31)
InChIKeySEMKAHAPSNYDDW-UHFFFAOYSA-N
MW444.54 g/mol
LogP5.47
Rot. Bonds7

About 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide

4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (PubChem CID 71837292) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
PubChem CID71837292
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)c(C)c4C)c(C)o3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-6-32-23-13-9-20(10-14-23)25(31)27-22-11-7-21(8-12-22)26-28-24(19(5)33-26)15-30-18(4)16(2)17(3)29-30/h7-14H,6,15H2,1-5H3,(H,27,31)
InChIKeySEMKAHAPSNYDDW-UHFFFAOYSA-N
XLogP5.47
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]acetamide
CID 53168565
N-(4-ethoxyphenyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 46277718
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955528
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19337872
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-3,4-difluorobenzamide
CID 71837337
N-(4-methoxyphenyl)-4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]benzamide
CID 46277742
(4-ethoxyphenyl)-[4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762222
3-methyl-N-[4-[5-methyl-4-(pyrazol-1-ylmethyl)-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837420
4-fluoro-N-[4-[5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837391
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide (CID 71837292) is 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is CCOc1ccc(C(=O)Nc2ccc(-c3nc(Cn4nc(C)c(C)c4C)c(C)o3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
The InChIKey is SEMKAHAPSNYDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-6-32-23-13-9-20(10-14-23)25(31)27-22-11-7-21(8-12-22)26-28-24(19(5)33-26)15-30-18(4)16(2)17(3)29-30/h7-14H,6,15H2,1-5H3,(H,27,31).
What are the key properties of 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide?
4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 5.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71837292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).