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

C18H16F2N2O4S — CID 34112468

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-10-12(22-17(25-10)15-4-3-7-27-15)9-16(23)21-11-5-6-13(24-2)14(8-11)26-18(19)20/h3-8,18H,9H2,1-2H3,(H,21,23)
InChIKeyTZNVGDLNKLKTJN-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.50
Rot. Bonds7

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

N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 34112468) has the molecular formula C18H16F2N2O4S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID34112468
Molecular FormulaC18H16F2N2O4S
Molecular Weight394.40 g/mol
Exact Mass394.08
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OC(F)F
InChIInChI=1S/C18H16F2N2O4S/c1-10-12(22-17(25-10)15-4-3-7-27-15)9-16(23)21-11-5-6-13(24-2)14(8-11)26-18(19)20/h3-8,18H,9H2,1-2H3,(H,21,23)
InChIKeyTZNVGDLNKLKTJN-UHFFFAOYSA-N
XLogP4.50
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 34112468) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is COc1ccc(NC(=O)Cc2nc(-c3cccs3)oc2C)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is TZNVGDLNKLKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O4S/c1-10-12(22-17(25-10)15-4-3-7-27-15)9-16(23)21-11-5-6-13(24-2)14(8-11)26-18(19)20/h3-8,18H,9H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 394.40 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 34112468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).