2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone

C7H10N2O2 — CID 82416690

IUPAC2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
SMILESCc1nc(C)c(C(=O)CN)o1
InChIInChI=1S/C7H10N2O2/c1-4-7(6(10)3-8)11-5(2)9-4/h3,8H2,1-2H3
InChIKeyWLMXQIUAEFMJGC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.43
Rot. Bonds2

About 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone

2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone (PubChem CID 82416690) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
PubChem CID82416690
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
SMILESCc1nc(C)c(C(=O)CN)o1
InChIInChI=1S/C7H10N2O2/c1-4-7(6(10)3-8)11-5(2)9-4/h3,8H2,1-2H3
InChIKeyWLMXQIUAEFMJGC-UHFFFAOYSA-N
XLogP0.43
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The IUPAC name of 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone (CID 82416690) is 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone is Cc1nc(C)c(C(=O)CN)o1.
What is the InChIKey of 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
The InChIKey is WLMXQIUAEFMJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-7(6(10)3-8)11-5(2)9-4/h3,8H2,1-2H3.
What are the key properties of 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone?
2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone has a molecular weight of 154.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone is sourced from PubChem (CID 82416690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).