tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate

C11H19N3O4 — CID 77231286

IUPACtert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCOCc1nc(CCNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)17-10(15)12-6-5-8-13-9(7-16-4)18-14-8/h5-7H2,1-4H3,(H,12,15)
InChIKeyVVTRTCDNIBJYKG-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.28
Rot. Bonds5

About tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate

tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (PubChem CID 77231286) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
PubChem CID77231286
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nametert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
SMILESCOCc1nc(CCNC(=O)OC(C)(C)C)no1
InChIInChI=1S/C11H19N3O4/c1-11(2,3)17-10(15)12-6-5-8-13-9(7-16-4)18-14-8/h5-7H2,1-4H3,(H,12,15)
InChIKeyVVTRTCDNIBJYKG-UHFFFAOYSA-N
XLogP1.28
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate (CID 77231286) is tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is COCc1nc(CCNC(=O)OC(C)(C)C)no1.
What is the InChIKey of tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
The InChIKey is VVTRTCDNIBJYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2,3)17-10(15)12-6-5-8-13-9(7-16-4)18-14-8/h5-7H2,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate has a molecular weight of 257.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate is sourced from PubChem (CID 77231286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).