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

C9H14N2O3 — CID 13309592

IUPACmethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCOC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C9H14N2O3/c1-9(2,3)6-5-7(11-14-6)10-8(12)13-4/h5H,1-4H3,(H,10,11,12)
InChIKeyZGUYPJJFHYFLBV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.15
Rot. Bonds1

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

methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (PubChem CID 13309592) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
PubChem CID13309592
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
SMILESCOC(=O)Nc1cc(C(C)(C)C)on1
InChIInChI=1S/C9H14N2O3/c1-9(2,3)6-5-7(11-14-6)10-8(12)13-4/h5H,1-4H3,(H,10,11,12)
InChIKeyZGUYPJJFHYFLBV-UHFFFAOYSA-N
XLogP2.15
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The IUPAC name of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate (CID 13309592) is methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate.
What is the SMILES notation for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The canonical SMILES for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is COC(=O)Nc1cc(C(C)(C)C)on1.
What is the InChIKey of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
The InChIKey is ZGUYPJJFHYFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2,3)6-5-7(11-14-6)10-8(12)13-4/h5H,1-4H3,(H,10,11,12).
What are the key properties of methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate?
methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate has a molecular weight of 198.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate is sourced from PubChem (CID 13309592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).