N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide

C19H10ClF2N3O2S — CID 24876320

IUPACN-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-11-8-14(19-23-6-7-27-19)28-17(11)10-4-5-15(24-9-10)25-18(26)16-12(21)2-1-3-13(16)22/h1-9H,(H,24,25,26)
InChIKeyFFACYJASMJIMLV-UHFFFAOYSA-N
MW417.82 g/mol
LogP5.65
Rot. Bonds4

About N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide

N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide (PubChem CID 24876320) has the molecular formula C19H10ClF2N3O2S and a molecular weight of 417.82 g/mol. Its IUPAC name is N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide
PubChem CID24876320
Molecular FormulaC19H10ClF2N3O2S
Molecular Weight417.82 g/mol
Exact Mass417.02
IUPAC NameN-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide
SMILESO=C(Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C19H10ClF2N3O2S/c20-11-8-14(19-23-6-7-27-19)28-17(11)10-4-5-15(24-9-10)25-18(26)16-12(21)2-1-3-13(16)22/h1-9H,(H,24,25,26)
InChIKeyFFACYJASMJIMLV-UHFFFAOYSA-N
XLogP5.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.82
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide (CID 24876320) is N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide is O=C(Nc1ccc(-c2sc(-c3ncco3)cc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide?
The InChIKey is FFACYJASMJIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N3O2S/c20-11-8-14(19-23-6-7-27-19)28-17(11)10-4-5-15(24-9-10)25-18(26)16-12(21)2-1-3-13(16)22/h1-9H,(H,24,25,26).
What are the key properties of N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide?
N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide has a molecular weight of 417.82 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-chloro-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]-2,6-difluorobenzamide is sourced from PubChem (CID 24876320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).