5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

C28H27N3O3 — CID 24901440

IUPAC5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1
InChIInChI=1S/C28H27N3O3/c1-20(32)30-25-10-6-9-24(18-25)23-13-11-22(12-14-23)17-26-27(29-19-34-26)28(33)31(2)16-15-21-7-4-3-5-8-21/h3-14,18-19H,15-17H2,1-2H3,(H,30,32)
InChIKeyRRSGDPMETGVLHG-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.21
Rot. Bonds8

About 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide

5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 24901440) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID24901440
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC Name5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1
InChIInChI=1S/C28H27N3O3/c1-20(32)30-25-10-6-9-24(18-25)23-13-11-22(12-14-23)17-26-27(29-19-34-26)28(33)31(2)16-15-21-7-4-3-5-8-21/h3-14,18-19H,15-17H2,1-2H3,(H,30,32)
InChIKeyRRSGDPMETGVLHG-UHFFFAOYSA-N
XLogP5.21
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-{[4-(3-acetamidophenyl)phenyl]methyl}-1,3-oxazol-4-yl)formamido]-3-phenylpropanoic acid
CID 16664733
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(1S,2R)-2-phenylcyclopropyl]-1,3-oxazole-4-carboxamide
CID 24901441
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 24901436
N-benzyl-5-{[4-(3-acetamidophenyl)phenyl]methyl}-1,3-oxazole-4-carboxamide
CID 24901437
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 24901438
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-(1-phenylethyl)-1,3-oxazole-4-carboxamide
CID 24901439
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(2R)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 24901442
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[(2S)-2-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 24901443
(2R)-2-[(5-{[4-(3-acetamidophenyl)phenyl]methyl}-1,3-oxazol-4-yl)formamido]-3-phenylpropanoic acid
CID 24901444
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901446
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-[2-(pyridin-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 24901447
5-{[4-(3-acetamidophenyl)phenyl]methyl}-N-phenyl-1,3-oxazole-4-carboxamide
CID 24901448

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide (CID 24901440) is 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)N(C)CCc3ccccc3)cc2)c1.
What is the InChIKey of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RRSGDPMETGVLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-20(32)30-25-10-6-9-24(18-25)23-13-11-22(12-14-23)17-26-27(29-19-34-26)28(33)31(2)16-15-21-7-4-3-5-8-21/h3-14,18-19H,15-17H2,1-2H3,(H,30,32).
What are the key properties of 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide?
5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-acetamidophenyl)phenyl]methyl]-N-methyl-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 24901440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).