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

C19H33N5O4 — CID 110419882

IUPACtert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCc1nnc(N2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)CC2)o1
InChIInChI=1S/C19H33N5O4/c1-7-13(3)15(20-18(26)28-19(4,5)6)16(25)23-9-11-24(12-10-23)17-22-21-14(8-2)27-17/h13,15H,7-12H2,1-6H3,(H,20,26)
InChIKeyDAQTUSGTQCTQCZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.22
Rot. Bonds6

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

tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 110419882) has the molecular formula C19H33N5O4 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID110419882
Molecular FormulaC19H33N5O4
Molecular Weight395.50 g/mol
Exact Mass395.25
IUPAC Nametert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCc1nnc(N2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)CC2)o1
InChIInChI=1S/C19H33N5O4/c1-7-13(3)15(20-18(26)28-19(4,5)6)16(25)23-9-11-24(12-10-23)17-22-21-14(8-2)27-17/h13,15H,7-12H2,1-6H3,(H,20,26)
InChIKeyDAQTUSGTQCTQCZ-UHFFFAOYSA-N
XLogP2.22
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidine-4-carbonyl]amino]propanoic acid
CID 3580219
tert-butyl N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]carbamate
CID 110414756
tert-butyl N-[1-(azocan-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 142133698
3-methyl-2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]piperidine-4-carbonyl]amino]pentanoic acid
CID 3475298
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 110612163
(2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrate
CID 87795968
tert-butyl N-(1-bromo-3-methyl-1-oxopentan-2-yl)carbamate
CID 175054407
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutan-2-yl] acetate
CID 121304116
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110610820
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate (CID 110419882) is tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate is CCc1nnc(N2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)CC)CC2)o1.
What is the InChIKey of tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is DAQTUSGTQCTQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O4/c1-7-13(3)15(20-18(26)28-19(4,5)6)16(25)23-9-11-24(12-10-23)17-22-21-14(8-2)27-17/h13,15H,7-12H2,1-6H3,(H,20,26).
What are the key properties of tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 110419882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).