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

C24H24N2O4 — CID 19365228

IUPACfuran-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccco1
InChIInChI=1S/C24H24N2O4/c27-24(29-17-21-12-7-13-28-21)25-22(15-19-10-5-2-6-11-19)23-16-20(26-30-23)14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2,(H,25,27)
InChIKeyGJNMZDVXXDOTDS-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.50
Rot. Bonds8

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

furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate (PubChem CID 19365228) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Namefuran-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
PubChem CID19365228
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Namefuran-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
SMILESO=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccco1
InChIInChI=1S/C24H24N2O4/c27-24(29-17-21-12-7-13-28-21)25-22(15-19-10-5-2-6-11-19)23-16-20(26-30-23)14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2,(H,25,27)
InChIKeyGJNMZDVXXDOTDS-UHFFFAOYSA-N
XLogP4.50
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
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
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-4-methoxybenzenesulfonamide
CID 19365166
tert-butyl N-[(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl]carbamate;tert-butyl N-[(1R)-1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 160649461
tert-butyl N-[1-[(2S)-oxiran-2-yl]-2-phenylethyl]carbamate
CID 53216973
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-[3-cyclohexyl-1-[[4-(furan-2-ylmethylsulfanyl)-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 18941184
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

Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The IUPAC name of furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate (CID 19365228) is furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The canonical SMILES for furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate is O=C(NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1)OCc1ccco1.
What is the InChIKey of furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The InChIKey is GJNMZDVXXDOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-24(29-17-21-12-7-13-28-21)25-22(15-19-10-5-2-6-11-19)23-16-20(26-30-23)14-18-8-3-1-4-9-18/h1-13,22-23H,14-17H2,(H,25,27).
What are the key properties of furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 19365228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).