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

C25H26N2O3S — CID 19365206

IUPACN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C25H26N2O3S/c28-31(29,19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(26-30-25)16-20-10-4-1-5-11-20/h1-15,24-25,27H,16-19H2
InChIKeySXTCIIINXMIITB-UHFFFAOYSA-N
MW434.56 g/mol
LogP4.10
Rot. Bonds9

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

N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide (PubChem CID 19365206) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
PubChem CID19365206
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C25H26N2O3S/c28-31(29,19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(26-30-25)16-20-10-4-1-5-11-20/h1-15,24-25,27H,16-19H2
InChIKeySXTCIIINXMIITB-UHFFFAOYSA-N
XLogP4.10
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 22885970
1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
CID 19365192
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 19365195
furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 19365228
3-benzyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 102568546
(2S)-2-(benzylsulfonylamino)-3-phenylpropanoic acid;1,3-dichloropropan-2-one
CID 159933246
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-phenylmethanesulfonamide
CID 51249164
(1S)-N-methyl-1-[(2S)-oxiran-2-yl]-2-phenylethanamine
CID 11008481
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
N-[(S)-(4-fluorophenyl)-[(2R)-oxolan-2-yl]methyl]-1-phenylmethanesulfonamide
CID 94640588
N-[(2S,8S)-8-(benzylsulfonylamino)-4,6-difluoro-3,5,7-trioxo-1,9-diphenylnonan-2-yl]-1-phenylmethanesulfonamide
CID 171616798
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide (CID 19365206) is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The InChIKey is SXTCIIINXMIITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-31(29,19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(26-30-25)16-20-10-4-1-5-11-20/h1-15,24-25,27H,16-19H2.
What are the key properties of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-1-phenylmethanesulfonamide has a molecular weight of 434.56 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 19365206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).