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

C15H25N5O5 — CID 66948649

IUPACtert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)NCc1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C15H25N5O5/c1-14(2,3)9(18-13(23)25-15(4,5)6)11(22)17-7-8-19-20-12(24-8)10(16)21/h9H,7H2,1-6H3,(H2,16,21)(H,17,22)(H,18,23)
InChIKeyKPGLYHLHDDLNSO-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.72
Rot. Bonds5

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

tert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (PubChem CID 66948649) has the molecular formula C15H25N5O5 and a molecular weight of 355.40 g/mol. Its IUPAC name is tert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
PubChem CID66948649
Molecular FormulaC15H25N5O5
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Nametert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C(=O)NCc1nnc(C(N)=O)o1)C(C)(C)C
InChIInChI=1S/C15H25N5O5/c1-14(2,3)9(18-13(23)25-15(4,5)6)11(22)17-7-8-19-20-12(24-8)10(16)21/h9H,7H2,1-6H3,(H2,16,21)(H,17,22)(H,18,23)
InChIKeyKPGLYHLHDDLNSO-UHFFFAOYSA-N
XLogP0.72
TPSA149.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[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-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate (CID 66948649) is tert-butyl N-[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-[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-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C(=O)NCc1nnc(C(N)=O)o1)C(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
The InChIKey is KPGLYHLHDDLNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O5/c1-14(2,3)9(18-13(23)25-15(4,5)6)11(22)17-7-8-19-20-12(24-8)10(16)21/h9H,7H2,1-6H3,(H2,16,21)(H,17,22)(H,18,23).
What are the key properties of tert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[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 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(5-carbamoyl-1,3,4-oxadiazol-2-yl)methylamino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 66948649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).