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

C15H25N5O5 — CID 66948653

IUPACtert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nnc(C(N)=O)o1
InChIInChI=1S/C15H25N5O5/c1-14(2,3)8(17-13(23)25-15(4,5)6)11(22)20(7)12-19-18-10(24-12)9(16)21/h8H,1-7H3,(H2,16,21)(H,17,23)/t8-/m1/s1
InChIKeyILCZBBPFQKKKGI-MRVPVSSYSA-N
MW355.40 g/mol
LogP1.07
Rot. Bonds4

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

tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 66948653) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID66948653
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Nametert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nnc(C(N)=O)o1
InChIInChI=1S/C15H25N5O5/c1-14(2,3)8(17-13(23)25-15(4,5)6)11(22)20(7)12-19-18-10(24-12)9(16)21/h8H,1-7H3,(H2,16,21)(H,17,23)/t8-/m1/s1
InChIKeyILCZBBPFQKKKGI-MRVPVSSYSA-N
XLogP1.07
TPSA140.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-Butyl [(1S)-1-{5-[(aminocarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 58124724
[1-[(5-Carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 68896026
tert-butyl [(1S)-1-{5-[(cyclopropylcarbonyl)amino]-1,3,4-oxadiazol-2-yl}-2,2-dimethylpropyl]carbamate
CID 70795363
tert-butyl N-[1-[5-(carbamoylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969152
tert-butyl N-[1-[5-(cyclopropanecarbonylamino)-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 70969652
tert-butyl N-[1-[5-[cyclopropanecarbonyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 163502095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 66948653) is tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1nnc(C(N)=O)o1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is ILCZBBPFQKKKGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H25N5O5/c1-14(2,3)8(17-13(23)25-15(4,5)6)11(22)20(7)12-19-18-10(24-12)9(16)21/h8H,1-7H3,(H2,16,21)(H,17,23)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate has a molecular weight of 355.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 66948653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).