tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate

C16H20FN3O5S — CID 7528596

IUPACtert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1
InChIInChI=1S/C16H20FN3O5S/c1-10(18-14(21)25-16(2,3)4)13-19-20-15(24-13)26(22,23)9-11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyRGHZRXMAAGBOOI-JTQLQIEISA-N
MW385.42 g/mol
LogP2.77
Rot. Bonds5

About tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (PubChem CID 7528596) has the molecular formula C16H20FN3O5S and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
PubChem CID7528596
Molecular FormulaC16H20FN3O5S
Molecular Weight385.42 g/mol
Exact Mass385.11
IUPAC Nametert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1
InChIInChI=1S/C16H20FN3O5S/c1-10(18-14(21)25-16(2,3)4)13-19-20-15(24-13)26(22,23)9-11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m0/s1
InChIKeyRGHZRXMAAGBOOI-JTQLQIEISA-N
XLogP2.77
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate (CID 7528596) is tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(F)c2)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
The InChIKey is RGHZRXMAAGBOOI-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20FN3O5S/c1-10(18-14(21)25-16(2,3)4)13-19-20-15(24-13)26(22,23)9-11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,18,21)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-[(3-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 7528596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).