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

C19H19N3O4 — CID 110324084

IUPACbenzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1noc(CCNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O4/c1-24-16-10-6-5-9-15(16)18-21-17(26-22-18)11-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyAFXOFMCTMWXOHP-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.21
Rot. Bonds7

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

benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (PubChem CID 110324084) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
PubChem CID110324084
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namebenzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1noc(CCNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O4/c1-24-16-10-6-5-9-15(16)18-21-17(26-22-18)11-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyAFXOFMCTMWXOHP-UHFFFAOYSA-N
XLogP3.21
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110323449
4-fluoro-N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 4976328
N-[2-(2-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50957271
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]methanesulfonamide
CID 4973301
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 55201236
tert-butyl N-[2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 170553351
N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 110324093
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylacetamide
CID 110323634
benzyl N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]carbamate
CID 56697981
N-[2-(4-methoxyphenoxy)ethyl]-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 110330882
N-benzyl-3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzamide
CID 9354144

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate (CID 110324084) is benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is COc1ccccc1-c1noc(CCNC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
The InChIKey is AFXOFMCTMWXOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-10-6-5-9-15(16)18-21-17(26-22-18)11-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate?
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate has a molecular weight of 353.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 110324084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).