N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

C18H13ClFN5O2 — CID 121272607

IUPACN-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(Cl)nn1
InChIInChI=1S/C18H13ClFN5O2/c19-16-4-2-13(23-24-16)9-22-17(26)10-25-14-3-1-12(20)7-11(14)8-15(25)18-21-5-6-27-18/h1-8H,9-10H2,(H,22,26)
InChIKeyIBCNXYXQJVXYHK-UHFFFAOYSA-N
MW385.79 g/mol
LogP3.20
Rot. Bonds5

About N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (PubChem CID 121272607) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
PubChem CID121272607
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(Cl)nn1
InChIInChI=1S/C18H13ClFN5O2/c19-16-4-2-13(23-24-16)9-22-17(26)10-25-14-3-1-12(20)7-11(14)8-15(25)18-21-5-6-27-18/h1-8H,9-10H2,(H,22,26)
InChIKeyIBCNXYXQJVXYHK-UHFFFAOYSA-N
XLogP3.20
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (CID 121272607) is N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is O=C(Cn1c(-c2ncco2)cc2cc(F)ccc21)NCc1ccc(Cl)nn1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The InChIKey is IBCNXYXQJVXYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c19-16-4-2-13(23-24-16)9-22-17(26)10-25-14-3-1-12(20)7-11(14)8-15(25)18-21-5-6-27-18/h1-8H,9-10H2,(H,22,26).
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide has a molecular weight of 385.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 121272607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).