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

C16H21N3O4 — CID 176654089

IUPACtert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1-c1cc(N)no1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)22-15(20)18-8-9-21-12-7-5-4-6-11(12)13-10-14(17)19-23-13/h4-7,10H,8-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyGULULVVWXNHHBT-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.83
Rot. Bonds5

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

tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate (PubChem CID 176654089) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
PubChem CID176654089
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCOc1ccccc1-c1cc(N)no1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)22-15(20)18-8-9-21-12-7-5-4-6-11(12)13-10-14(17)19-23-13/h4-7,10H,8-9H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyGULULVVWXNHHBT-UHFFFAOYSA-N
XLogP2.83
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
CID 176654073
tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
CID 115111721
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
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-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
CID 53238550
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]-5-phenyl-1,2-oxazole-4-carboxylic acid
CID 19596598
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate (CID 176654089) is tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate is CC(C)(C)OC(=O)NCCOc1ccccc1-c1cc(N)no1.
What is the InChIKey of tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate?
The InChIKey is GULULVVWXNHHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,3)22-15(20)18-8-9-21-12-7-5-4-6-11(12)13-10-14(17)19-23-13/h4-7,10H,8-9H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate is sourced from PubChem (CID 176654089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).