N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

C22H22F2N2O4 — CID 55611791

IUPACN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC(F)F
InChIInChI=1S/C22H22F2N2O4/c1-14-17(25-21(29-14)16-7-5-4-6-8-16)12-20(27)26(2)13-15-9-10-18(28-3)19(11-15)30-22(23)24/h4-11,22H,12-13H2,1-3H3
InChIKeyATESWNFDSNDRIW-UHFFFAOYSA-N
MW416.42 g/mol
LogP4.46
Rot. Bonds8

About N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (PubChem CID 55611791) has the molecular formula C22H22F2N2O4 and a molecular weight of 416.42 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
PubChem CID55611791
Molecular FormulaC22H22F2N2O4
Molecular Weight416.42 g/mol
Exact Mass416.15
IUPAC NameN-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC(F)F
InChIInChI=1S/C22H22F2N2O4/c1-14-17(25-21(29-14)16-7-5-4-6-8-16)12-20(27)26(2)13-15-9-10-18(28-3)19(11-15)30-22(23)24/h4-11,22H,12-13H2,1-3H3
InChIKeyATESWNFDSNDRIW-UHFFFAOYSA-N
XLogP4.46
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51335973
N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 24676962
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
N-[(2S)-1-methoxypropan-2-yl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 97311968
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 56550038
(2S)-2-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-3-phenylpropanamide
CID 119285861
N-(3,4-dimethoxyphenyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-methylacetamide
CID 110426034
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methylpropanamide
CID 55611874
2-[[4-methoxy-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-2-phenylacetic acid
CID 91372333
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119717111
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809759
N-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 55619064

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide (CID 55611791) is N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is COc1ccc(CN(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1OC(F)F.
What is the InChIKey of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
The InChIKey is ATESWNFDSNDRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O4/c1-14-17(25-21(29-14)16-7-5-4-6-8-16)12-20(27)26(2)13-15-9-10-18(28-3)19(11-15)30-22(23)24/h4-11,22H,12-13H2,1-3H3.
What are the key properties of N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide?
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide has a molecular weight of 416.42 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 55611791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).