2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

C17H14F2N2O3S — CID 41368833

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N2O3S/c18-16(19)23-13-7-3-1-5-11(13)9-20-15(22)10-25-17-21-12-6-2-4-8-14(12)24-17/h1-8,16H,9-10H2,(H,20,22)
InChIKeyGZXZVNIUWCWHGL-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.84
Rot. Bonds7

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (PubChem CID 41368833) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
PubChem CID41368833
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide
SMILESO=C(CSc1nc2ccccc2o1)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H14F2N2O3S/c18-16(19)23-13-7-3-1-5-11(13)9-20-15(22)10-25-17-21-12-6-2-4-8-14(12)24-17/h1-8,16H,9-10H2,(H,20,22)
InChIKeyGZXZVNIUWCWHGL-UHFFFAOYSA-N
XLogP3.84
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide (CID 41368833) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is O=C(CSc1nc2ccccc2o1)NCc1ccccc1OC(F)F.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is GZXZVNIUWCWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c18-16(19)23-13-7-3-1-5-11(13)9-20-15(22)10-25-17-21-12-6-2-4-8-14(12)24-17/h1-8,16H,9-10H2,(H,20,22).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 364.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[2-(difluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 41368833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).