4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine

C15H18F2N2O2 — CID 66197938

IUPAC4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)C(C)c1onc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-8(2)9(3)13-12(14(18)19-21-13)10-4-6-11(7-5-10)20-15(16)17/h4-9,15H,1-3H3,(H2,18,19)
InChIKeyGEJOLHRITQMTQG-UHFFFAOYSA-N
MW296.32 g/mol
LogP4.28
Rot. Bonds5

About 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine

4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66197938) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
PubChem CID66197938
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)C(C)c1onc(N)c1-c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N2O2/c1-8(2)9(3)13-12(14(18)19-21-13)10-4-6-11(7-5-10)20-15(16)17/h4-9,15H,1-3H3,(H2,18,19)
InChIKeyGEJOLHRITQMTQG-UHFFFAOYSA-N
XLogP4.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-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-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (CID 66197938) is 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is CC(C)C(C)c1onc(N)c1-c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is GEJOLHRITQMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-8(2)9(3)13-12(14(18)19-21-13)10-4-6-11(7-5-10)20-15(16)17/h4-9,15H,1-3H3,(H2,18,19).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 296.32 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66197938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).