4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole

C18H18F3N3O2 — CID 175895076

IUPAC4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
SMILESCC(C)c1coc(-c2cc(C(F)(F)F)cc(-c3nc(C(C)C)co3)n2)n1
InChIInChI=1S/C18H18F3N3O2/c1-9(2)14-7-25-16(23-14)12-5-11(18(19,20)21)6-13(22-12)17-24-15(8-26-17)10(3)4/h5-10H,1-4H3
InChIKeyIWIGHJLMLUSQCD-UHFFFAOYSA-N
MW365.36 g/mol
LogP5.66
Rot. Bonds4

About 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole

4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole (PubChem CID 175895076) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
PubChem CID175895076
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole
SMILESCC(C)c1coc(-c2cc(C(F)(F)F)cc(-c3nc(C(C)C)co3)n2)n1
InChIInChI=1S/C18H18F3N3O2/c1-9(2)14-7-25-16(23-14)12-5-11(18(19,20)21)6-13(22-12)17-24-15(8-26-17)10(3)4/h5-10H,1-4H3
InChIKeyIWIGHJLMLUSQCD-UHFFFAOYSA-N
XLogP5.66
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-methoxy-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175895003
cobalt;2-[3,5-dibromo-6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846092
2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
CID 59664272
2-(4-fluorophenyl)-4-propan-2-yl-1,3-oxazole
CID 146379712
2,6-bis(4-propan-2-yl-1,3-oxazol-2-yl)-1H-pyridin-4-one
CID 175895153
4-(4-propan-2-yl-1,3-oxazol-2-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 176796902
2-(2-methyl-4-pyridinyl)-4-propan-2-yl-1,3-oxazole
CID 167038806
2-(3-bromophenyl)-4-propan-2-yl-1,3-oxazole
CID 115049454
2,2-difluoro-2-(4-propan-2-yl-1,3-oxazol-2-yl)acetic acid
CID 115023782
2-[3,5-dibromo-4-chloro-6-(4-propan-2-yl-1,3-oxazol-2-yl)-2-pyridinyl]-4-propan-2-yl-1,3-oxazole
CID 175846169
2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
4-(4-propan-2-yl-1,3-oxazol-2-yl)benzaldehyde
CID 115029103

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole (CID 175895076) is 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole is CC(C)c1coc(-c2cc(C(F)(F)F)cc(-c3nc(C(C)C)co3)n2)n1.
What is the InChIKey of 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
The InChIKey is IWIGHJLMLUSQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-9(2)14-7-25-16(23-14)12-5-11(18(19,20)21)6-13(22-12)17-24-15(8-26-17)10(3)4/h5-10H,1-4H3.
What are the key properties of 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole?
4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole has a molecular weight of 365.36 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[6-(4-propan-2-yl-1,3-oxazol-2-yl)-4-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 175895076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).