N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide

C26H26N2O2 — CID 5077825

IUPACN-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H26N2O2/c1-19-13-15-20(16-14-19)24-17-23(30-27-24)18-28(2)26(29)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17-18H2,1-2H3
InChIKeyQOMJAUZOOGGDRI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.78
Rot. Bonds6

About N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide

N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide (PubChem CID 5077825) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
PubChem CID5077825
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide
SMILESCc1ccc(C2=NOC(CN(C)C(=O)C(c3ccccc3)c3ccccc3)C2)cc1
InChIInChI=1S/C26H26N2O2/c1-19-13-15-20(16-14-19)24-17-23(30-27-24)18-28(2)26(29)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17-18H2,1-2H3
InChIKeyQOMJAUZOOGGDRI-UHFFFAOYSA-N
XLogP4.78
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide?
The IUPAC name of N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide (CID 5077825) is N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide?
The canonical SMILES for N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide is Cc1ccc(C2=NOC(CN(C)C(=O)C(c3ccccc3)c3ccccc3)C2)cc1.
What is the InChIKey of N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide?
The InChIKey is QOMJAUZOOGGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-13-15-20(16-14-19)24-17-23(30-27-24)18-28(2)26(29)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,25H,17-18H2,1-2H3.
What are the key properties of N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide?
N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide has a molecular weight of 398.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-(4-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2,2-diphenylacetamide is sourced from PubChem (CID 5077825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).