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

C8H13N3O3 — CID 110320280

IUPACethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1nnc(C)o1
InChIInChI=1S/C8H13N3O3/c1-3-13-8(12)9-5-4-7-11-10-6(2)14-7/h3-5H2,1-2H3,(H,9,12)
InChIKeyNVGULODSEFWGKN-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.67
Rot. Bonds4

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

ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (PubChem CID 110320280) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
PubChem CID110320280
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Nameethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
SMILESCCOC(=O)NCCc1nnc(C)o1
InChIInChI=1S/C8H13N3O3/c1-3-13-8(12)9-5-4-7-11-10-6(2)14-7/h3-5H2,1-2H3,(H,9,12)
InChIKeyNVGULODSEFWGKN-UHFFFAOYSA-N
XLogP0.67
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 110320204
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-1-amine
CID 62162393
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
2-methoxy-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzamide
CID 110320225
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
CID 110320276
ethyl 5-[2-(chloroamino)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 118374926
ethyl N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]carbamate
CID 110646305
ethyl N-propylcarbamate
CID 12199
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
2-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]propan-2-amine
CID 62163830

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate (CID 110320280) is ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is CCOC(=O)NCCc1nnc(C)o1.
What is the InChIKey of ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
The InChIKey is NVGULODSEFWGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-13-8(12)9-5-4-7-11-10-6(2)14-7/h3-5H2,1-2H3,(H,9,12).
What are the key properties of ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate?
ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate has a molecular weight of 199.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).