2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide

C17H14F5N3O4 — CID 139963430

IUPAC2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide
SMILESCCc1nc2c(OC(F)F)ccc(CC(=O)Nc3c(C(F)(F)F)noc3C)c2o1
InChIInChI=1S/C17H14F5N3O4/c1-3-11-24-13-9(27-16(18)19)5-4-8(14(13)28-11)6-10(26)23-12-7(2)29-25-15(12)17(20,21)22/h4-5,16H,3,6H2,1-2H3,(H,23,26)
InChIKeyOZDZOAXQNPUJPL-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.49
Rot. Bonds6

About 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide

2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide (PubChem CID 139963430) has the molecular formula C17H14F5N3O4 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide
PubChem CID139963430
Molecular FormulaC17H14F5N3O4
Molecular Weight419.31 g/mol
Exact Mass419.09
IUPAC Name2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide
SMILESCCc1nc2c(OC(F)F)ccc(CC(=O)Nc3c(C(F)(F)F)noc3C)c2o1
InChIInChI=1S/C17H14F5N3O4/c1-3-11-24-13-9(27-16(18)19)5-4-8(14(13)28-11)6-10(26)23-12-7(2)29-25-15(12)17(20,21)22/h4-5,16H,3,6H2,1-2H3,(H,23,26)
InChIKeyOZDZOAXQNPUJPL-UHFFFAOYSA-N
XLogP4.49
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide (CID 139963430) is 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide is CCc1nc2c(OC(F)F)ccc(CC(=O)Nc3c(C(F)(F)F)noc3C)c2o1.
What is the InChIKey of 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide?
The InChIKey is OZDZOAXQNPUJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O4/c1-3-11-24-13-9(27-16(18)19)5-4-8(14(13)28-11)6-10(26)23-12-7(2)29-25-15(12)17(20,21)22/h4-5,16H,3,6H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide?
2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide has a molecular weight of 419.31 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2-ethyl-1,3-benzoxazol-7-yl]-N-[5-methyl-3-(trifluoromethyl)-1,2-oxazol-4-yl]acetamide is sourced from PubChem (CID 139963430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).