2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one

C7H12N2O2 — CID 144607475

IUPAC2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(N)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C7H12N2O2/c1-4(8)5-9-7(2,3)6(10)11-5/h4H,8H2,1-3H3
InChIKeyAATYNIBSQYDRDT-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.07
Rot. Bonds1

About 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one

2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one (PubChem CID 144607475) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one
PubChem CID144607475
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one
SMILESCC(N)C1=NC(C)(C)C(=O)O1
InChIInChI=1S/C7H12N2O2/c1-4(8)5-9-7(2,3)6(10)11-5/h4H,8H2,1-3H3
InChIKeyAATYNIBSQYDRDT-UHFFFAOYSA-N
XLogP0.07
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The IUPAC name of 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one (CID 144607475) is 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one.
What is the SMILES notation for 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The canonical SMILES for 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one is CC(N)C1=NC(C)(C)C(=O)O1.
What is the InChIKey of 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
The InChIKey is AATYNIBSQYDRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-4(8)5-9-7(2,3)6(10)11-5/h4H,8H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one?
2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one has a molecular weight of 156.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-4,4-dimethyl-1,3-oxazol-5-one is sourced from PubChem (CID 144607475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).