benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate

C19H21N3O3 — CID 164560484

IUPACbenzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCc1cccc(C2N=C(C(C)NC(=O)OCc3ccccc3)NO2)c1
InChIInChI=1S/C19H21N3O3/c1-13-7-6-10-16(11-13)18-21-17(22-25-18)14(2)20-19(23)24-12-15-8-4-3-5-9-15/h3-11,14,18H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZOFRFNHGLHUORL-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.24
Rot. Bonds5

About benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate

benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 164560484) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID164560484
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Namebenzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCc1cccc(C2N=C(C(C)NC(=O)OCc3ccccc3)NO2)c1
InChIInChI=1S/C19H21N3O3/c1-13-7-6-10-16(11-13)18-21-17(22-25-18)14(2)20-19(23)24-12-15-8-4-3-5-9-15/h3-11,14,18H,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyZOFRFNHGLHUORL-UHFFFAOYSA-N
XLogP3.24
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-1-(3-methylphenyl)-1-oxopropan-2-yl]carbamate
CID 101373667
2-[(3-methylphenyl)methoxycarbonylamino]propanoic acid
CID 90066967
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
methyl-[(2R)-3-[(3-methylphenyl)methylazaniumyl]-2-(phenylmethoxycarbonylamino)propyl]azanium dichloride
CID 11069700
5-[1-(phenylmethoxycarbonylamino)ethyl]-1H-pyrazole-3-carboxylic acid
CID 167742564
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 164560484) is benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate is Cc1cccc(C2N=C(C(C)NC(=O)OCc3ccccc3)NO2)c1.
What is the InChIKey of benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is ZOFRFNHGLHUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-7-6-10-16(11-13)18-21-17(22-25-18)14(2)20-19(23)24-12-15-8-4-3-5-9-15/h3-11,14,18H,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 339.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[5-(3-methylphenyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 164560484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).