tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate

C20H28N2O3 — CID 134240580

IUPACtert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
SMILESC/C=C(\Cc1ccccc1)C1=NOC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N2O3/c1-5-16(13-15-9-7-6-8-10-15)18-14-17(25-22-18)11-12-21-19(23)24-20(2,3)4/h5-10,17H,11-14H2,1-4H3,(H,21,23)/b16-5+
InChIKeyDACSWKGBVMDXDC-FZSIALSZSA-N
MW344.45 g/mol
LogP4.24
Rot. Bonds6

About tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate

tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate (PubChem CID 134240580) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
PubChem CID134240580
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Nametert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate
SMILESC/C=C(\Cc1ccccc1)C1=NOC(CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H28N2O3/c1-5-16(13-15-9-7-6-8-10-15)18-14-17(25-22-18)11-12-21-19(23)24-20(2,3)4/h5-10,17H,11-14H2,1-4H3,(H,21,23)/b16-5+
InChIKeyDACSWKGBVMDXDC-FZSIALSZSA-N
XLogP4.24
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
7-amino-2-benzyl-1-(4-chlorophenyl)-5-hydroxyhept-1-en-3-one;2-benzyl-3-(4-chlorophenyl)prop-2-enal;(NE)-N-[2-benzyl-3-(4-chlorophenyl)prop-2-enylidene]hydroxylamine;tert-butyl N-[6-benzyl-7-(4-chlorophenyl)-3-hydroxy-5-oxohept-6-enyl]carbamate;tert-butyl N-but-3-enylcarbamate;tert-butyl N-[2-[3-[1-(4-chlorophenyl)-3-phenylprop-1-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate;N-chlorohydroxylamine
CID 172930094
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[[(5S)-3-(ethylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 97308010
tert-butyl N-[(Z)-2-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enyl]carbamate
CID 10981687
tert-butyl N-[[(5R)-3-(propan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 97308013
tert-butyl N-[[(5R)-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]carbamate
CID 100685574
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
(Z)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbut-2-enoic acid
CID 15408414
tert-butyl N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]carbamate
CID 97170435
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
tert-butyl N-[2-(benzylamino)ethyl]carbamate;hydrochloride
CID 14418525

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate (CID 134240580) is tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate is C/C=C(\Cc1ccccc1)C1=NOC(CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
The InChIKey is DACSWKGBVMDXDC-FZSIALSZSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-16(13-15-9-7-6-8-10-15)18-14-17(25-22-18)11-12-21-19(23)24-20(2,3)4/h5-10,17H,11-14H2,1-4H3,(H,21,23)/b16-5+.
What are the key properties of tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate?
tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate has a molecular weight of 344.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(E)-1-phenylbut-2-en-2-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 134240580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).