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

C18H23N3O4 — CID 70913925

IUPACbenzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
SMILESCOCc1nnc(C2CCC(NC(=O)OCc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O4/c1-23-12-16-20-21-17(25-16)14-7-9-15(10-8-14)19-18(22)24-11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)
InChIKeyHKTGQVMEGWRANR-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.17
Rot. Bonds6

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

benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate (PubChem CID 70913925) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
PubChem CID70913925
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namebenzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate
SMILESCOCc1nnc(C2CCC(NC(=O)OCc3ccccc3)CC2)o1
InChIInChI=1S/C18H23N3O4/c1-23-12-16-20-21-17(25-16)14-7-9-15(10-8-14)19-18(22)24-11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22)
InChIKeyHKTGQVMEGWRANR-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 ≤ 500345.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]amino]pyridine-3-carboxamide
CID 146423182
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
benzyl N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxycarbonylamino]cyclohexyl]carbamate
CID 142754448
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-(4-amino-4-methylcyclohexyl)carbamate
CID 168763188
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The IUPAC name of benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate (CID 70913925) is benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The canonical SMILES for benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate is COCc1nnc(C2CCC(NC(=O)OCc3ccccc3)CC2)o1.
What is the InChIKey of benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
The InChIKey is HKTGQVMEGWRANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-12-16-20-21-17(25-16)14-7-9-15(10-8-14)19-18(22)24-11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,19,22).
What are the key properties of benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate?
benzyl N-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 345.40 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-[4-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 70913925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).