2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole

C23H26F2N2O3 — CID 87705608

IUPAC2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole
SMILESCc1cccnc1CCCc1coc(-c2ccc(OC(C)C)c(OCC(F)F)c2)n1
InChIInChI=1S/C23H26F2N2O3/c1-15(2)30-20-10-9-17(12-21(20)28-14-22(24)25)23-27-18(13-29-23)7-4-8-19-16(3)6-5-11-26-19/h5-6,9-13,15,22H,4,7-8,14H2,1-3H3
InChIKeyJOBYPYWCVNKBPO-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.65
Rot. Bonds10

About 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole

2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole (PubChem CID 87705608) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole
PubChem CID87705608
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole
SMILESCc1cccnc1CCCc1coc(-c2ccc(OC(C)C)c(OCC(F)F)c2)n1
InChIInChI=1S/C23H26F2N2O3/c1-15(2)30-20-10-9-17(12-21(20)28-14-22(24)25)23-27-18(13-29-23)7-4-8-19-16(3)6-5-11-26-19/h5-6,9-13,15,22H,4,7-8,14H2,1-3H3
InChIKeyJOBYPYWCVNKBPO-UHFFFAOYSA-N
XLogP5.65
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-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-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole?
The IUPAC name of 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole (CID 87705608) is 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole?
The canonical SMILES for 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole is Cc1cccnc1CCCc1coc(-c2ccc(OC(C)C)c(OCC(F)F)c2)n1.
What is the InChIKey of 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole?
The InChIKey is JOBYPYWCVNKBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-15(2)30-20-10-9-17(12-21(20)28-14-22(24)25)23-27-18(13-29-23)7-4-8-19-16(3)6-5-11-26-19/h5-6,9-13,15,22H,4,7-8,14H2,1-3H3.
What are the key properties of 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole?
2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole has a molecular weight of 416.47 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole is sourced from PubChem (CID 87705608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).