1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one

C22H22F2N2O4 — CID 69124612

IUPAC1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCCCOc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1OC(F)F
InChIInChI=1S/C22H22F2N2O4/c1-3-9-28-19-7-6-15(10-20(19)30-22(23)24)21-26-16(13-29-21)11-17(27)12-18-14(2)5-4-8-25-18/h4-8,10,13,22H,3,9,11-12H2,1-2H3
InChIKeyREXWMULAFDVERY-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.79
Rot. Bonds10

About 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one

1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one (PubChem CID 69124612) has the molecular formula C22H22F2N2O4 and a molecular weight of 416.42 g/mol. Its IUPAC name is 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one
PubChem CID69124612
Molecular FormulaC22H22F2N2O4
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC Name1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one
SMILESCCCOc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1OC(F)F
InChIInChI=1S/C22H22F2N2O4/c1-3-9-28-19-7-6-15(10-20(19)30-22(23)24)21-26-16(13-29-21)11-17(27)12-18-14(2)5-4-8-25-18/h4-8,10,13,22H,3,9,11-12H2,1-2H3
InChIKeyREXWMULAFDVERY-UHFFFAOYSA-N
XLogP4.79
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one 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

1-[2-[4-(difluoromethoxy)-3-prop-2-enoxyphenyl]-1,3-oxazol-4-yl]-3-(2-ethoxyphenyl)propan-2-one
CID 69124952
2-[3-(2,2-difluoroethoxy)-4-propan-2-yloxyphenyl]-4-[3-(3-methyl-2-pyridinyl)propyl]-1,3-oxazole
CID 87705608
[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl acetate
CID 122387469
N-[[2-[4-(difluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68982000
1-[2-(difluoromethoxy)phenyl]ethanone;ethane;4-ethyl-2-(4-methoxy-3-propan-2-yloxyphenyl)-1,3-oxazole
CID 143566351
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-6-hydroxybenzamide
CID 130176541
ethyl 2-(4-butoxy-3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 118336683
2-(4-methylphenyl)-4-[(2-propoxyphenoxy)methyl]-1,3-oxazole
CID 55542490
3-[2-[4-(difluoromethoxy)-3-hydroxyphenyl]-1,3-oxazol-4-yl]-1-(2-ethoxyphenyl)propan-1-one
CID 68984934
5-[4-(chloromethyl)-1,3-oxazol-2-yl]-2-(difluoromethoxy)phenol
CID 175553150
N-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-2-ethoxy-5-hydroxybenzamide
CID 130176543
methyl 6-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methylcarbamoyl]pyridine-2-carboxylate
CID 175553169

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one (CID 69124612) is 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one is CCCOc1ccc(-c2nc(CC(=O)Cc3ncccc3C)co2)cc1OC(F)F.
What is the InChIKey of 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one?
The InChIKey is REXWMULAFDVERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4/c1-3-9-28-19-7-6-15(10-20(19)30-22(23)24)21-26-16(13-29-21)11-17(27)12-18-14(2)5-4-8-25-18/h4-8,10,13,22H,3,9,11-12H2,1-2H3.
What are the key properties of 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one?
1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one has a molecular weight of 416.42 g/mol, XLogP of 4.79, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(difluoromethoxy)-4-propoxyphenyl]-1,3-oxazol-4-yl]-3-(3-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 69124612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).