4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

C11H18N4O — CID 83095090

IUPAC4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCn1cc(C2COC(N)=N2)c(C(C)(C)C)n1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-7(5-15(4)14-9)8-6-16-10(12)13-8/h5,8H,6H2,1-4H3,(H2,12,13)
InChIKeyBUXXUWABGVZTPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.10
Rot. Bonds1

About 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine

4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 83095090) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID83095090
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
SMILESCn1cc(C2COC(N)=N2)c(C(C)(C)C)n1
InChIInChI=1S/C11H18N4O/c1-11(2,3)9-7(5-15(4)14-9)8-6-16-10(12)13-8/h5,8H,6H2,1-4H3,(H2,12,13)
InChIKeyBUXXUWABGVZTPP-UHFFFAOYSA-N
XLogP1.10
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-tert-butyl-1-methylpyrazol-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-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine (CID 83095090) is 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is Cn1cc(C2COC(N)=N2)c(C(C)(C)C)n1.
What is the InChIKey of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is BUXXUWABGVZTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2,3)9-7(5-15(4)14-9)8-6-16-10(12)13-8/h5,8H,6H2,1-4H3,(H2,12,13).
What are the key properties of 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine?
4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1-methylpyrazol-4-yl)-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 83095090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).