tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate

C14H17FN2O4 — CID 15453940

IUPACtert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1noc2ccc(F)cc12
InChIInChI=1S/C14H17FN2O4/c1-14(2,3)20-13(18)16-6-7-19-12-10-8-9(15)4-5-11(10)21-17-12/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyBAAASDKDGIQMJW-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate

tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate (PubChem CID 15453940) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
PubChem CID15453940
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Nametert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1noc2ccc(F)cc12
InChIInChI=1S/C14H17FN2O4/c1-14(2,3)20-13(18)16-6-7-19-12-10-8-9(15)4-5-11(10)21-17-12/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyBAAASDKDGIQMJW-UHFFFAOYSA-N
XLogP2.87
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(5-nitro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453945
5-bromo-1,2-benzoxazol-3-one;tert-butyl N-[2-[(5-bromo-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 157334244
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)sulfanyl]ethyl]carbamate;3-chloro-5-fluoro-1,2-benzoxazole
CID 158106786
tert-butyl N-[2-[(4,5-dimethyl-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate;4,5-dimethyl-1,2-benzoxazole;hydrochloride
CID 161068619
tert-butyl N-[2-[(5-bromo-7-methyl-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 18696102
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 19596598
tert-butyl N-[2-(5-bromo-6-methoxypyrimidin-4-yl)oxyethyl]carbamate;fluorobenzene
CID 178061372
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]carbamate
CID 162438360
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
tert-butyl N-[3-[2-[(1R)-1-aminoethyl]-4-fluorophenoxy]propyl]carbamate
CID 146196773

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate (CID 15453940) is tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1noc2ccc(F)cc12.
What is the InChIKey of tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate?
The InChIKey is BAAASDKDGIQMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c1-14(2,3)20-13(18)16-6-7-19-12-10-8-9(15)4-5-11(10)21-17-12/h4-5,8H,6-7H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate?
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate has a molecular weight of 296.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 15453940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).