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

C14H17N3O3 — CID 115111721

IUPACtert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1cc(N)no1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)11-8-12(15)17-20-11/h4-8H,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZMSIYGCPVFMTAA-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.27
Rot. Bonds2

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

tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate (PubChem CID 115111721) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
PubChem CID115111721
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nametert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1-c1cc(N)no1
InChIInChI=1S/C14H17N3O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)11-8-12(15)17-20-11/h4-8H,1-3H3,(H2,15,17)(H,16,18)
InChIKeyZMSIYGCPVFMTAA-UHFFFAOYSA-N
XLogP3.27
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-(3-amino-1,2-oxazol-5-yl)phenoxy]ethyl]carbamate
CID 176654089
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tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
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tert-butyl N-[2-(1-methylimidazol-2-yl)phenyl]carbamate
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tert-butyl N-(2-hydroxyphenyl)carbamate
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tert-butyl N-(2-pyrazin-2-ylphenyl)carbamate
CID 22493234
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
tert-butyl N-(2-amino-3-methylphenyl)carbamate
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tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-(4-aminothiophen-3-yl)carbamate
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CID 82342800

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate (CID 115111721) is tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1-c1cc(N)no1.
What is the InChIKey of tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate?
The InChIKey is ZMSIYGCPVFMTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)11-8-12(15)17-20-11/h4-8H,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate?
tert-butyl N-[2-(3-amino-1,2-oxazol-5-yl)phenyl]carbamate has a molecular weight of 275.31 g/mol, XLogP of 3.27, 2 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-amino-1,2-oxazol-5-yl)phenyl]carbamate is sourced from PubChem (CID 115111721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).