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

C26H27N3O2 — CID 57177828

IUPAC1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C1C=C(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/h1-15,18,24-25,29H,16-17,19H2,(H2,27,28,30)
InChIKeyHRRCJEKLISMFNW-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.13
Rot. Bonds8

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

1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea (PubChem CID 57177828) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
PubChem CID57177828
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
SMILESO=C(NCc1ccccc1)NC(Cc1ccccc1)C1C=C(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/h1-15,18,24-25,29H,16-17,19H2,(H2,27,28,30)
InChIKeyHRRCJEKLISMFNW-UHFFFAOYSA-N
XLogP4.13
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzhydryl-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 56764379
N-benzhydryl-3-phenyloxaziridine-2-carboxamide
CID 146394654
5-Hydroxymethyl-4-phenyl-6-[(e)-2-phenylethenyl]3,4-dihydropyrimidin-2(1h)-one
CID 175672891
1-Benzyl-3-cyclohexyl-1-[[3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 4069090
1-Benzhydryl-3-(2-hydroxy-3-phenylpropyl)urea
CID 56765331
1-Benzyl-3-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea
CID 19365192
1-Benzyl-3-[3-hydroxy-1-phenyl-4-(2-phenylethylamino)butan-2-yl]urea
CID 19958471
1-Benzyl-3-[4-(benzylamino)-3-hydroxy-1-phenylbutan-2-yl]urea
CID 19958476
N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
CID 56997971
N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]benzamide
CID 57009017
ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
CID 57026348
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
CID 57027039

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The IUPAC name of 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea (CID 57177828) is 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The canonical SMILES for 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea is O=C(NCc1ccccc1)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
The InChIKey is HRRCJEKLISMFNW-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/h1-15,18,24-25,29H,16-17,19H2,(H2,27,28,30).
What are the key properties of 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea?
1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea has a molecular weight of 413.52 g/mol, XLogP of 4.13, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]urea is sourced from PubChem (CID 57177828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).