N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide

C22H26N2O2 — CID 19365189

IUPACN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C22H26N2O2/c1-16(2)22(25)23-20(14-18-11-7-4-8-12-18)21-15-19(24-26-21)13-17-9-5-3-6-10-17/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,25)
InChIKeySLTSJPVHCXFKRH-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.76
Rot. Bonds7

About N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide

N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide (PubChem CID 19365189) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
PubChem CID19365189
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C22H26N2O2/c1-16(2)22(25)23-20(14-18-11-7-4-8-12-18)21-15-19(24-26-21)13-17-9-5-3-6-10-17/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,25)
InChIKeySLTSJPVHCXFKRH-UHFFFAOYSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide (CID 19365189) is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The InChIKey is SLTSJPVHCXFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-16(2)22(25)23-20(14-18-11-7-4-8-12-18)21-15-19(24-26-21)13-17-9-5-3-6-10-17/h3-12,16,20-21H,13-15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide is sourced from PubChem (CID 19365189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).