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

C9H14N2O3 — CID 127264687

IUPACtert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C9H14N2O3/c1-6-10-5-7(13-6)11-8(12)14-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyZYSOXRVUVDAUCQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.33
Rot. Bonds1

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

tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate (PubChem CID 127264687) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate
PubChem CID127264687
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nametert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate
SMILESCc1ncc(NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C9H14N2O3/c1-6-10-5-7(13-6)11-8(12)14-9(2,3)4/h5H,1-4H3,(H,11,12)
InChIKeyZYSOXRVUVDAUCQ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate (CID 127264687) is tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate is Cc1ncc(NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate?
The InChIKey is ZYSOXRVUVDAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6-10-5-7(13-6)11-8(12)14-9(2,3)4/h5H,1-4H3,(H,11,12).
What are the key properties of tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate?
tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate has a molecular weight of 198.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-1,3-oxazol-5-yl)carbamate is sourced from PubChem (CID 127264687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).