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

C18H17N3O4 — CID 110323055

IUPACbenzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCOc1ccc(-c2noc(CNC(=O)OCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O4/c1-23-15-9-7-14(8-10-15)17-20-16(25-21-17)11-19-18(22)24-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyWFWIIOVFSLJEDW-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.17
Rot. Bonds6

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

benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (PubChem CID 110323055) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
PubChem CID110323055
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namebenzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
SMILESCOc1ccc(-c2noc(CNC(=O)OCc3ccccc3)n2)cc1
InChIInChI=1S/C18H17N3O4/c1-23-15-9-7-14(8-10-15)17-20-16(25-21-17)11-19-18(22)24-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyWFWIIOVFSLJEDW-UHFFFAOYSA-N
XLogP3.17
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylsulfanyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8798123
phenyl N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110322864
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylurea
CID 8895828
N-[[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103239
N-[[3-[4-(4-methylphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 53103259
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
2-iodo-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 50874673
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 110610658
benzyl N-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 110324084
N-[2-[[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetyl]amino]ethyl]benzamide
CID 110630603
(E)-3-(4-methoxyphenyl)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]but-2-enamide
CID 110417037
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate (CID 110323055) is benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is COc1ccc(-c2noc(CNC(=O)OCc3ccccc3)n2)cc1.
What is the InChIKey of benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
The InChIKey is WFWIIOVFSLJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-23-15-9-7-14(8-10-15)17-20-16(25-21-17)11-19-18(22)24-12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate?
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate has a molecular weight of 339.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate is sourced from PubChem (CID 110323055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).