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

C16H21N3O4 — CID 58549922

IUPACtert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(20)17-10-9-13-18-19-14(22-13)11-7-5-6-8-12(11)21-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyGZWCYFXGSRRYKM-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.81
Rot. Bonds5

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

tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 58549922) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
PubChem CID58549922
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESCOc1ccccc1-c1nnc(CCNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(20)17-10-9-13-18-19-14(22-13)11-7-5-6-8-12(11)21-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyGZWCYFXGSRRYKM-UHFFFAOYSA-N
XLogP2.81
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.81
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-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 58549922) is tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is COc1ccccc1-c1nnc(CCNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The InChIKey is GZWCYFXGSRRYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,3)23-15(20)17-10-9-13-18-19-14(22-13)11-7-5-6-8-12(11)21-4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 2.81, 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-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 58549922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).