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

C17H14F2N2O4S — CID 55706537

IUPACN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1OC(F)F
InChIInChI=1S/C17H14F2N2O4S/c1-9-14(21-16(24-9)13-4-3-7-26-13)15(22)20-10-5-6-11(23-2)12(8-10)25-17(18)19/h3-8,17H,1-2H3,(H,20,22)
InChIKeyVXXIALVMKJVASH-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.57
Rot. Bonds6

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

N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 55706537) has the molecular formula C17H14F2N2O4S and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
PubChem CID55706537
Molecular FormulaC17H14F2N2O4S
Molecular Weight380.37 g/mol
Exact Mass380.06
IUPAC NameN-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1OC(F)F
InChIInChI=1S/C17H14F2N2O4S/c1-9-14(21-16(24-9)13-4-3-7-26-13)15(22)20-10-5-6-11(23-2)12(8-10)25-17(18)19/h3-8,17H,1-2H3,(H,20,22)
InChIKeyVXXIALVMKJVASH-UHFFFAOYSA-N
XLogP4.57
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.57
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]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide (CID 55706537) is N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is COc1ccc(NC(=O)c2nc(-c3cccs3)oc2C)cc1OC(F)F.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is VXXIALVMKJVASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O4S/c1-9-14(21-16(24-9)13-4-3-7-26-13)15(22)20-10-5-6-11(23-2)12(8-10)25-17(18)19/h3-8,17H,1-2H3,(H,20,22).
What are the key properties of N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide?
N-[3-(difluoromethoxy)-4-methoxyphenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 4.57, 6 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]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55706537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).