tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate

C16H26N4O5 — CID 58124423

IUPACtert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)CCc1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C16H26N4O5/c1-15(2,3)11(18-14(23)25-16(4,5)6)9(21)7-8-10-19-20-13(24-10)12(17)22/h11H,7-8H2,1-6H3,(H2,17,22)(H,18,23)/t11-/m1/s1
InChIKeyTZETWXUGDKDPIW-LLVKDONJSA-N
MW354.41 g/mol
LogP1.61
Rot. Bonds6

About tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate

tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate (PubChem CID 58124423) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate
PubChem CID58124423
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC Nametert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)CCc1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C16H26N4O5/c1-15(2,3)11(18-14(23)25-16(4,5)6)9(21)7-8-10-19-20-13(24-10)12(17)22/h11H,7-8H2,1-6H3,(H2,17,22)(H,18,23)/t11-/m1/s1
InChIKeyTZETWXUGDKDPIW-LLVKDONJSA-N
XLogP1.61
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-(2,2-dimethyl-4-oxopentan-3-yl)carbamate;ethane
CID 145466117
tert-butyl N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methylbutan-2-yl]carbamate
CID 91541939
tert-butyl N-[(2R)-1-fluoro-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 86760074
methyl N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 88576811
tert-butyl N-[(2S)-1-[carbamoyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 87212977
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-(2,4,4-trimethylpent-1-en-3-yl)carbamate
CID 123936360
methyl N-[(3R)-2,2-dimethyl-4-oxopentan-3-yl]carbamate
CID 58257381
methyl (2R)-2-[[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-methylsulfanylpropanoate
CID 171484432
ethyl 5-[[[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate
CID 90779442
tert-butyl N-[(1R)-2-tert-butylsulfanyl-1-(4-carbamoyl-5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 51357627
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-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate (CID 58124423) is tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H](C(=O)CCc1nnc(C(N)=O)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate?
The InChIKey is TZETWXUGDKDPIW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-15(2,3)11(18-14(23)25-16(4,5)6)9(21)7-8-10-19-20-13(24-10)12(17)22/h11H,7-8H2,1-6H3,(H2,17,22)(H,18,23)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate?
tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate has a molecular weight of 354.41 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-6-(5-carbamoyl-1,3,4-oxadiazol-2-yl)-2,2-dimethyl-4-oxohexan-3-yl]carbamate is sourced from PubChem (CID 58124423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).