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

C20H20F2N2O4S — CID 43043077

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCOc1cc(CN(C)C(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O4S/c1-12-14(23-19(27-12)17-5-4-8-29-17)10-18(25)24(2)11-13-6-7-15(28-20(21)22)16(9-13)26-3/h4-9,20H,10-11H2,1-3H3
InChIKeyRFMIEEQXDFBEES-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.52
Rot. Bonds8

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

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 43043077) has the molecular formula C20H20F2N2O4S and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID43043077
Molecular FormulaC20H20F2N2O4S
Molecular Weight422.45 g/mol
Exact Mass422.11
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCOc1cc(CN(C)C(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(F)F
InChIInChI=1S/C20H20F2N2O4S/c1-12-14(23-19(27-12)17-5-4-8-29-17)10-18(25)24(2)11-13-6-7-15(28-20(21)22)16(9-13)26-3/h4-9,20H,10-11H2,1-3H3
InChIKeyRFMIEEQXDFBEES-UHFFFAOYSA-N
XLogP4.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 43043077) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is COc1cc(CN(C)C(=O)Cc2nc(-c3cccs3)oc2C)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is RFMIEEQXDFBEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4S/c1-12-14(23-19(27-12)17-5-4-8-29-17)10-18(25)24(2)11-13-6-7-15(28-20(21)22)16(9-13)26-3/h4-9,20H,10-11H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 422.45 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyl-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 43043077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).