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

C26H27N3O2 — CID 19365192

IUPAC1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C26H27N3O2/c30-26(27-19-22-14-8-3-9-15-22)28-24(17-21-12-6-2-7-13-21)25-18-23(29-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H2,27,28,30)
InChIKeyCAVPHWFDUXCRIO-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.48
Rot. Bonds8

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

1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea (PubChem CID 19365192) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
PubChem CID19365192
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C26H27N3O2/c30-26(27-19-22-14-8-3-9-15-22)28-24(17-21-12-6-2-7-13-21)25-18-23(29-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H2,27,28,30)
InChIKeyCAVPHWFDUXCRIO-UHFFFAOYSA-N
XLogP4.48
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2,2-dimethylpropanamide
CID 19365195
benzyl N-[(1S)-1-[(5S)-3-benzyl-4,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
CID 22885970
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]-1-phenylmethanesulfonamide
CID 19365206
4-[[(1-cyclopropyl-2-phenylethyl)carbamoylamino]methyl]benzoic acid
CID 122002941
1-(1-cyclopentyl-2-phenylethyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 111108863
1-(1-cyclopropyl-2-phenylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618937
2-(benzylcarbamoylamino)-N-(2-benzylphenyl)-3-phenylpropanamide
CID 42696556
(2S)-2-amino-N-benzyl-2-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetamide
CID 155559860
(5S)-3-benzyl-N-[(1S)-1-(2-chlorophenyl)ethyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 26350050
2-(benzylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 23018453
1-(1-cyclopropyl-2-phenylethyl)-3-(3-hydroxypropyl)urea
CID 111435397

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The IUPAC name of 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea (CID 19365192) is 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The canonical SMILES for 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea is O=C(NCc1ccccc1)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The InChIKey is CAVPHWFDUXCRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(27-19-22-14-8-3-9-15-22)28-24(17-21-12-6-2-7-13-21)25-18-23(29-31-25)16-20-10-4-1-5-11-20/h1-15,24-25H,16-19H2,(H2,27,28,30).
What are the key properties of 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea has a molecular weight of 413.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea is sourced from PubChem (CID 19365192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).