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

C19H11ClFN3O2S — CID 59014078

IUPACN-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2sc(-c3ccno3)cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2S/c20-14-9-17(16-6-8-23-26-16)27-18(14)11-1-3-12(4-2-11)24-19(25)13-5-7-22-10-15(13)21/h1-10H,(H,24,25)
InChIKeySGZPOKNXNNDVMX-UHFFFAOYSA-N
MW399.83 g/mol
LogP5.51
Rot. Bonds4

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

N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 59014078) has the molecular formula C19H11ClFN3O2S and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID59014078
Molecular FormulaC19H11ClFN3O2S
Molecular Weight399.83 g/mol
Exact Mass399.02
IUPAC NameN-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2sc(-c3ccno3)cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2S/c20-14-9-17(16-6-8-23-26-16)27-18(14)11-1-3-12(4-2-11)24-19(25)13-5-7-22-10-15(13)21/h1-10H,(H,24,25)
InChIKeySGZPOKNXNNDVMX-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-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide (CID 59014078) is N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2sc(-c3ccno3)cc2Cl)cc1)c1ccncc1F.
What is the InChIKey of N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is SGZPOKNXNNDVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2S/c20-14-9-17(16-6-8-23-26-16)27-18(14)11-1-3-12(4-2-11)24-19(25)13-5-7-22-10-15(13)21/h1-10H,(H,24,25).
What are the key properties of N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-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-[4-[3-chloro-5-(1,2-oxazol-5-yl)thiophen-2-yl]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 59014078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).