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

C22H26N2O2 — CID 57027039

IUPACN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)C1C=C(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/h3-12,15-16,20-21,24H,13-14H2,1-2H3,(H,23,25)
InChIKeyHPSIMTFROVAVPN-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.40
Rot. Bonds7

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

N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide (PubChem CID 57027039) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
PubChem CID57027039
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NC(Cc1ccccc1)C1C=C(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/h3-12,15-16,20-21,24H,13-14H2,1-2H3,(H,23,25)
InChIKeyHPSIMTFROVAVPN-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Diacetylamino-1,5-diphenyl-3-pentanol
CID 452446
N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
CID 14704382
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 57250380
N-[(2R)-3-methoxy-1,1-diphenylpropan-2-yl]acetamide
CID 101351253
(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide
CID 139119403
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propanamide
CID 19365136
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
CID 19365189
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 19365195
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]acetamide
CID 19365218
N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]acetamide
CID 22885962
N-[[3-[4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 56985741
(2S,3S)-2-amino-N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-3-methyl-N-[(1-methyl-2H-pyridin-6-yl)methylcarbamoyl]pentanamide
CID 56990170

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide (CID 57027039) is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The canonical SMILES for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide is CC(C)C(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
The InChIKey is HPSIMTFROVAVPN-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/h3-12,15-16,20-21,24H,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide?
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide is sourced from PubChem (CID 57027039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).