N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C8H12N2O2 — CID 89054004

IUPACN-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-4-8(12-10-7)9-6(3)11/h4-5H,1-3H3,(H,9,11)
InChIKeyXGKCXKHEFDCTIQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.76
Rot. Bonds2

About N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 89054004) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID89054004
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C8H12N2O2/c1-5(2)7-4-8(12-10-7)9-6(3)11/h4-5H,1-3H3,(H,9,11)
InChIKeyXGKCXKHEFDCTIQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 89054004) is N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(=O)Nc1cc(C(C)C)no1.
What is the InChIKey of N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is XGKCXKHEFDCTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)7-4-8(12-10-7)9-6(3)11/h4-5H,1-3H3,(H,9,11).
What are the key properties of N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 168.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 89054004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).