tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate

C11H18N4O4 — CID 165033228

IUPACtert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCNC(=O)Cc1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H18N4O4/c1-11(2,3)19-10(17)13-6-9-15-14-8(18-9)5-7(16)12-4/h5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyMZJGPYKABLQXNU-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.38
Rot. Bonds4

About tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate

tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate (PubChem CID 165033228) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
PubChem CID165033228
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Nametert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate
SMILESCNC(=O)Cc1nnc(CNC(=O)OC(C)(C)C)o1
InChIInChI=1S/C11H18N4O4/c1-11(2,3)19-10(17)13-6-9-15-14-8(18-9)5-7(16)12-4/h5-6H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyMZJGPYKABLQXNU-UHFFFAOYSA-N
XLogP0.38
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]carbamate
CID 9079211
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
4-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 154853416
tert-butyl N-[2-(methylamino)-2-oxoethyl]carbamate;hydrochloride
CID 91827965
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216
tert-butyl N-[[2-[2-[2-[2-(methylamino)-2-oxoethyl]anilino]-2-oxoethyl]phenyl]methyl]carbamate
CID 102159056
tert-butyl N-[[5-(1H-benzimidazol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 135921701
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[(4-methylthiadiazol-5-yl)methyl]carbamate
CID 130992862
tert-butyl N-[2-(5-propan-2-ylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 944713

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate (CID 165033228) is tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate is CNC(=O)Cc1nnc(CNC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?
The InChIKey is MZJGPYKABLQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-11(2,3)19-10(17)13-6-9-15-14-8(18-9)5-7(16)12-4/h5-6H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate has a molecular weight of 270.29 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[2-(methylamino)-2-oxoethyl]-1,3,4-oxadiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 165033228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).