2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide

C27H26N2O2 — CID 141296063

IUPAC2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-24(18-28-26(30)27(2,3)23-12-8-5-9-13-23)25(31-29-19)22-16-14-21(15-17-22)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3,(H,28,30)
InChIKeyDOEXROGITUQTAZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.91
Rot. Bonds6

About 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide

2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide (PubChem CID 141296063) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
PubChem CID141296063
Molecular FormulaC27H26N2O2
Molecular Weight410.52 g/mol
Exact Mass410.20
IUPAC Name2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide
SMILESCc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C27H26N2O2/c1-19-24(18-28-26(30)27(2,3)23-12-8-5-9-13-23)25(31-29-19)22-16-14-21(15-17-22)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3,(H,28,30)
InChIKeyDOEXROGITUQTAZ-UHFFFAOYSA-N
XLogP5.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide?
The IUPAC name of 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide (CID 141296063) is 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide?
The canonical SMILES for 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide is Cc1noc(-c2ccc(-c3ccccc3)cc2)c1CNC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide?
The InChIKey is DOEXROGITUQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-19-24(18-28-26(30)27(2,3)23-12-8-5-9-13-23)25(31-29-19)22-16-14-21(15-17-22)20-10-6-4-7-11-20/h4-17H,18H2,1-3H3,(H,28,30).
What are the key properties of 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide?
2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]methyl]-2-phenylpropanamide is sourced from PubChem (CID 141296063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).