tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate

C18H25N3O4 — CID 176654073

IUPACtert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOc1ccccc1-c1cc(N)no1
InChIInChI=1S/C18H25N3O4/c1-18(2,3)24-17(22)20-10-6-7-11-23-14-9-5-4-8-13(14)15-12-16(19)21-25-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOKIQXLQLTZDZMV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.61
Rot. Bonds7

About tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate

tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate (PubChem CID 176654073) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
PubChem CID176654073
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nametert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCOc1ccccc1-c1cc(N)no1
InChIInChI=1S/C18H25N3O4/c1-18(2,3)24-17(22)20-10-6-7-11-23-14-9-5-4-8-13(14)15-12-16(19)21-25-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeyOKIQXLQLTZDZMV-UHFFFAOYSA-N
XLogP3.61
TPSA99.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.61
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-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
CID 115111721
2-[11-[(2-methylpropan-2-yl)oxycarbonylamino]undecoxy]benzoic acid
CID 134353591
tert-butyl N-[5-(2-amino-3-methylphenoxy)pentyl]carbamate
CID 164512412
tert-butyl N-[3-(2-amino-5-fluorophenoxy)propyl]carbamate
CID 177233914
tert-butyl N-[2-[(5-phenyl-1,2-oxazol-3-yl)oxy]ethyl]carbamate
CID 15434960
tert-butyl N-[4-(3-hydroxy-2-methylsulfanylphenoxy)butyl]carbamate
CID 68839720
tert-butyl N-[3-[2-(methylaminomethyl)phenoxy]propyl]carbamate
CID 123160691
methyl 4-amino-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 67283586
tert-butyl N-[4-(2-cyano-3-hydroxyphenoxy)butyl]carbamate
CID 68838450
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 176549664
tert-butyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate (CID 176654073) is tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate is CC(C)(C)OC(=O)NCCCCOc1ccccc1-c1cc(N)no1.
What is the InChIKey of tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate?
The InChIKey is OKIQXLQLTZDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(2,3)24-17(22)20-10-6-7-11-23-14-9-5-4-8-13(14)15-12-16(19)21-25-15/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate?
tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate has a molecular weight of 347.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]butyl]carbamate is sourced from PubChem (CID 176654073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).