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

C16H20N2O4 — CID 15434960

IUPACtert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-9-10-20-14-11-13(22-18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyOPVOYIQXPPEZRU-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.25
Rot. Bonds5

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

tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate (PubChem CID 15434960) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
PubChem CID15434960
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-9-10-20-14-11-13(22-18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19)
InChIKeyOPVOYIQXPPEZRU-UHFFFAOYSA-N
XLogP3.25
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.25
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-[[4-(1-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate;tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 159607170
tert-butyl N-[2-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]oxy]ethyl]carbamate;5-(2-chlorophenyl)-1,2-oxazol-3-one
CID 158671600
tert-butyl N-[2-[[4-(2-methylpropyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596701
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 19596598
tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
tert-butyl N-[2-[[4-(methylcarbamoyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596513
tert-butyl N-[2-[[4-(1-hydroxy-3-methylbutyl)-5-phenyl-1,2-oxazol-3-yl]oxy]ethyl]carbamate
CID 19596637
tert-butyl N-[2-(6-chloropyrimidin-4-yl)oxyethyl]carbamate
CID 175662867
tert-butyl N-[2-[(6-bromo-2-pyridinyl)oxy]ethyl]carbamate
CID 90434725
tert-butyl N-[2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]ethyl]carbamate
CID 133482508
tert-butyl N-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]carbamate
CID 145199582
tert-butyl N-[2-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]ethyl]carbamate
CID 111006689

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate (CID 15434960) is tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1cc(-c2ccccc2)on1.
What is the InChIKey of tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
The InChIKey is OPVOYIQXPPEZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-16(2,3)21-15(19)17-9-10-20-14-11-13(22-18-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate?
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate has a molecular weight of 304.35 g/mol, XLogP of 3.25, 5 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-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate is sourced from PubChem (CID 15434960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).