3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine

C7H12N2O — CID 146429450

IUPAC3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine
SMILESCCc1noc(C)c1NC
InChIInChI=1S/C7H12N2O/c1-4-6-7(8-3)5(2)10-9-6/h8H,4H2,1-3H3
InChIKeyUJZZOLQMXXDRQU-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.59
Rot. Bonds2

About 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine

3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine (PubChem CID 146429450) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine
PubChem CID146429450
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine
SMILESCCc1noc(C)c1NC
InChIInChI=1S/C7H12N2O/c1-4-6-7(8-3)5(2)10-9-6/h8H,4H2,1-3H3
InChIKeyUJZZOLQMXXDRQU-UHFFFAOYSA-N
XLogP1.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine?
The IUPAC name of 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine (CID 146429450) is 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine.
What is the SMILES notation for 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine?
The canonical SMILES for 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine is CCc1noc(C)c1NC.
What is the InChIKey of 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine?
The InChIKey is UJZZOLQMXXDRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-7(8-3)5(2)10-9-6/h8H,4H2,1-3H3.
What are the key properties of 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine?
3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine has a molecular weight of 140.19 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,5-dimethyl-1,2-oxazol-4-amine is sourced from PubChem (CID 146429450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).