4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

C8H12N4O — CID 103570871

IUPAC4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCn1cc(C2COC(N)=N2)cn1
InChIInChI=1S/C8H12N4O/c1-2-12-4-6(3-10-12)7-5-13-8(9)11-7/h3-4,7H,2,5H2,1H3,(H2,9,11)
InChIKeyJECIUJSYTULVKS-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.29
Rot. Bonds2

About 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 103570871) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID103570871
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCn1cc(C2COC(N)=N2)cn1
InChIInChI=1S/C8H12N4O/c1-2-12-4-6(3-10-12)7-5-13-8(9)11-7/h3-4,7H,2,5H2,1H3,(H2,9,11)
InChIKeyJECIUJSYTULVKS-UHFFFAOYSA-N
XLogP0.29
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 103570871) is 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is CCn1cc(C2COC(N)=N2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is JECIUJSYTULVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-2-12-4-6(3-10-12)7-5-13-8(9)11-7/h3-4,7H,2,5H2,1H3,(H2,9,11).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 180.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 103570871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).