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

C19H10ClF2N5O2 — CID 11589689

IUPACN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N5O2/c20-12-2-1-10(16-7-24-9-29-16)3-11(12)15-6-26-17(8-25-15)27-19(28)18-13(21)4-23-5-14(18)22/h1-9H,(H,26,27,28)
InChIKeyBXOKTMWVAACAQR-UHFFFAOYSA-N
MW413.77 g/mol
LogP4.38
Rot. Bonds4

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

N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (PubChem CID 11589689) has the molecular formula C19H10ClF2N5O2 and a molecular weight of 413.77 g/mol. Its IUPAC name is N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
PubChem CID11589689
Molecular FormulaC19H10ClF2N5O2
Molecular Weight413.77 g/mol
Exact Mass413.05
IUPAC NameN-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1c(F)cncc1F
InChIInChI=1S/C19H10ClF2N5O2/c20-12-2-1-10(16-7-24-9-29-16)3-11(12)15-6-26-17(8-25-15)27-19(28)18-13(21)4-23-5-14(18)22/h1-9H,(H,26,27,28)
InChIKeyBXOKTMWVAACAQR-UHFFFAOYSA-N
XLogP4.38
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.77
LogP ≤ 54.38
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-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The IUPAC name of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide (CID 11589689) is N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is O=C(Nc1cnc(-c2cc(-c3cnco3)ccc2Cl)cn1)c1c(F)cncc1F.
What is the InChIKey of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
The InChIKey is BXOKTMWVAACAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF2N5O2/c20-12-2-1-10(16-7-24-9-29-16)3-11(12)15-6-26-17(8-25-15)27-19(28)18-13(21)4-23-5-14(18)22/h1-9H,(H,26,27,28).
What are the key properties of N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide?
N-[5-[2-chloro-5-(1,3-oxazol-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide has a molecular weight of 413.77 g/mol, XLogP of 4.38, 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-5-yl)phenyl]pyrazin-2-yl]-3,5-difluoropyridine-4-carboxamide is sourced from PubChem (CID 11589689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).