N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide

C19H11ClFN3O2S — CID 58703388

IUPACN-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccno3)ccc2Cl)s1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2S/c20-14-2-1-11(16-6-8-23-26-16)9-13(14)17-3-4-18(27-17)24-19(25)12-5-7-22-10-15(12)21/h1-10H,(H,24,25)
InChIKeyIWFSTQYLJKCWCO-UHFFFAOYSA-N
MW399.83 g/mol
LogP5.51
Rot. Bonds4

About N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide

N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 58703388) has the molecular formula C19H11ClFN3O2S and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID58703388
Molecular FormulaC19H11ClFN3O2S
Molecular Weight399.83 g/mol
Exact Mass399.02
IUPAC NameN-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(-c3ccno3)ccc2Cl)s1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2S/c20-14-2-1-11(16-6-8-23-26-16)9-13(14)17-3-4-18(27-17)24-19(25)12-5-7-22-10-15(12)21/h1-10H,(H,24,25)
InChIKeyIWFSTQYLJKCWCO-UHFFFAOYSA-N
XLogP5.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.83
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide (CID 58703388) is N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc(-c3ccno3)ccc2Cl)s1)c1ccncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is IWFSTQYLJKCWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2S/c20-14-2-1-11(16-6-8-23-26-16)9-13(14)17-3-4-18(27-17)24-19(25)12-5-7-22-10-15(12)21/h1-10H,(H,24,25).
What are the key properties of N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,2-oxazol-5-yl)phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 58703388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).