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

C26H26N2O3 — CID 22885970

IUPACbenzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H]1CC(Cc2ccccc2)=NO1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H,27,29)/t24-,25-/m0/s1
InChIKeyGLNOJAUQELVAGI-DQEYMECFSA-N
MW414.51 g/mol
LogP4.91
Rot. Bonds8

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

benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate (PubChem CID 22885970) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
PubChem CID22885970
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namebenzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H]1CC(Cc2ccccc2)=NO1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H,27,29)/t24-,25-/m0/s1
InChIKeyGLNOJAUQELVAGI-DQEYMECFSA-N
XLogP4.91
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate with MolForge

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Related Compounds

furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 19365228
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]-1-phenylmethanesulfonamide
CID 19365206
benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
CID 18759082
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-4-methoxybenzenesulfonamide
CID 19365166
benzyl N-[(1S)-1-[(2S,4R)-4-(cyanomethyl)-5-oxooxolan-2-yl]-2-phenylethyl]carbamate
CID 11111643
benzyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate;dimethylphosphorylmethane;[(E)-prop-1-enyl]benzene
CID 91147890
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl N-[(2S)-5-(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)-3-oxo-1-phenylpentan-2-yl]carbamate
CID 59806495
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
CID 11346335

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate (CID 22885970) is benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate is O=C(N[C@@H](Cc1ccccc1)[C@@H]1CC(Cc2ccccc2)=NO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The InChIKey is GLNOJAUQELVAGI-DQEYMECFSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H,27,29)/t24-,25-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 22885970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).