2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole

C19H19F2NO2 — CID 139633144

IUPAC2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC(C)C)c1
InChIInChI=1S/C19H19F2NO2/c1-11(2)24-17-9-12(3)7-8-13(17)16-10-23-19(22-16)18-14(20)5-4-6-15(18)21/h4-9,11,16H,10H2,1-3H3
InChIKeyJTYFICULYVLTJV-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.58
Rot. Bonds4

About 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139633144) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID139633144
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC(C)C)c1
InChIInChI=1S/C19H19F2NO2/c1-11(2)24-17-9-12(3)7-8-13(17)16-10-23-19(22-16)18-14(20)5-4-6-15(18)21/h4-9,11,16H,10H2,1-3H3
InChIKeyJTYFICULYVLTJV-UHFFFAOYSA-N
XLogP4.58
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole (CID 139633144) is 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole is Cc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC(C)C)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is JTYFICULYVLTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-11(2)24-17-9-12(3)7-8-13(17)16-10-23-19(22-16)18-14(20)5-4-6-15(18)21/h4-9,11,16H,10H2,1-3H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 331.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(4-methyl-2-propan-2-yloxyphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139633144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).