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

C19H11ClFN5O2 — CID 11494941

IUPACN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C19H11ClFN5O2/c20-14-2-1-11(19-23-5-6-28-19)7-13(14)16-9-25-17(10-24-16)26-18(27)12-3-4-22-8-15(12)21/h1-10H,(H,25,26,27)
InChIKeyMLNAJVMZNYVCGF-UHFFFAOYSA-N
MW395.78 g/mol
LogP4.24
Rot. Bonds4

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

N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 11494941) has the molecular formula C19H11ClFN5O2 and a molecular weight of 395.78 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID11494941
Molecular FormulaC19H11ClFN5O2
Molecular Weight395.78 g/mol
Exact Mass395.06
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1ccncc1F
InChIInChI=1S/C19H11ClFN5O2/c20-14-2-1-11(19-23-5-6-28-19)7-13(14)16-9-25-17(10-24-16)26-18(27)12-3-4-22-8-15(12)21/h1-10H,(H,25,26,27)
InChIKeyMLNAJVMZNYVCGF-UHFFFAOYSA-N
XLogP4.24
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.78
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide (CID 11494941) is N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is O=C(Nc1cnc(-c2cc(-c3ncco3)ccc2Cl)cn1)c1ccncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is MLNAJVMZNYVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5O2/c20-14-2-1-11(19-23-5-6-28-19)7-13(14)16-9-25-17(10-24-16)26-18(27)12-3-4-22-8-15(12)21/h1-10H,(H,25,26,27).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 395.78 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]pyrazin-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 11494941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).