tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate

C15H22N4O5 — CID 146558747

IUPACtert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate
SMILESC[C@H]1OC(=O)N[C@@H]1c1nnc(C2(NC(=O)OC(C)(C)C)CCC2)o1
InChIInChI=1S/C15H22N4O5/c1-8-9(16-12(20)22-8)10-18-19-11(23-10)15(6-5-7-15)17-13(21)24-14(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t8-,9+/m1/s1
InChIKeyWDTALDLHHWNCQA-BDAKNGLRSA-N
MW338.36 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate

tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate (PubChem CID 146558747) has the molecular formula C15H22N4O5 and a molecular weight of 338.36 g/mol. Its IUPAC name is tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate
PubChem CID146558747
Molecular FormulaC15H22N4O5
Molecular Weight338.36 g/mol
Exact Mass338.16
IUPAC Nametert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate
SMILESC[C@H]1OC(=O)N[C@@H]1c1nnc(C2(NC(=O)OC(C)(C)C)CCC2)o1
InChIInChI=1S/C15H22N4O5/c1-8-9(16-12(20)22-8)10-18-19-11(23-10)15(6-5-7-15)17-13(21)24-14(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t8-,9+/m1/s1
InChIKeyWDTALDLHHWNCQA-BDAKNGLRSA-N
XLogP2.14
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate (CID 146558747) is tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate is C[C@H]1OC(=O)N[C@@H]1c1nnc(C2(NC(=O)OC(C)(C)C)CCC2)o1.
What is the InChIKey of tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate?
The InChIKey is WDTALDLHHWNCQA-BDAKNGLRSA-N. The full InChI is InChI=1S/C15H22N4O5/c1-8-9(16-12(20)22-8)10-18-19-11(23-10)15(6-5-7-15)17-13(21)24-14(2,3)4/h8-9H,5-7H2,1-4H3,(H,16,20)(H,17,21)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate has a molecular weight of 338.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-[(4S,5R)-5-methyl-2-oxo-1,3-oxazolidin-4-yl]-1,3,4-oxadiazol-2-yl]cyclobutyl]carbamate is sourced from PubChem (CID 146558747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).