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

C10H16N2O3 — CID 757130

IUPACethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C10H16N2O3/c1-5-14-9(13)11-8-6-7(15-12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyQUCROCXEJQRURH-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.54
Rot. Bonds2

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

ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 757130) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID757130
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCCOC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C10H16N2O3/c1-5-14-9(13)11-8-6-7(15-12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyQUCROCXEJQRURH-UHFFFAOYSA-N
XLogP2.54
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 757130) is ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is CCOC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is QUCROCXEJQRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-14-9(13)11-8-6-7(15-12-8)10(2,3)4/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 212.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 757130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).