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

C16H21N3O3 — CID 103818671

IUPACtert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-8-7-18-13-6-4-5-12(9-13)14-10-17-11-21-14/h4-6,9-11,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyIEXHHALMPZLHRO-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.28
Rot. Bonds5

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

tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate (PubChem CID 103818671) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate
PubChem CID103818671
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Nametert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNc1cccc(-c2cnco2)c1
InChIInChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-8-7-18-13-6-4-5-12(9-13)14-10-17-11-21-14/h4-6,9-11,18H,7-8H2,1-3H3,(H,19,20)
InChIKeyIEXHHALMPZLHRO-UHFFFAOYSA-N
XLogP3.28
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate (CID 103818671) is tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNc1cccc(-c2cnco2)c1.
What is the InChIKey of tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate?
The InChIKey is IEXHHALMPZLHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(2,3)22-15(20)19-8-7-18-13-6-4-5-12(9-13)14-10-17-11-21-14/h4-6,9-11,18H,7-8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate?
tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate has a molecular weight of 303.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(1,3-oxazol-5-yl)anilino]ethyl]carbamate is sourced from PubChem (CID 103818671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).