tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate

C20H20FN3O3 — CID 57394995

IUPACtert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H20FN3O3/c1-20(2,3)27-19(25)22-16(13-9-11-15(21)12-10-13)18-24-23-17(26-18)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,22,25)
InChIKeySJTQIJCVQUFXDG-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.49
Rot. Bonds4

About tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate

tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate (PubChem CID 57394995) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate
PubChem CID57394995
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Nametert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H20FN3O3/c1-20(2,3)27-19(25)22-16(13-9-11-15(21)12-10-13)18-24-23-17(26-18)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,22,25)
InChIKeySJTQIJCVQUFXDG-UHFFFAOYSA-N
XLogP4.49
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate (CID 57394995) is tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)NC(c1ccc(F)cc1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
The InChIKey is SJTQIJCVQUFXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-20(2,3)27-19(25)22-16(13-9-11-15(21)12-10-13)18-24-23-17(26-18)14-7-5-4-6-8-14/h4-12,16H,1-3H3,(H,22,25).
What are the key properties of tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate?
tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate has a molecular weight of 369.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 57394995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).