N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

C25H19N5O3 — CID 24878671

IUPACN-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(-c5cnco5)c4)n3)cccc12
InChIInChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyIAHKIERABNTWLV-UHFFFAOYSA-N
MW437.46 g/mol
LogP5.78
Rot. Bonds6

About N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide

N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (PubChem CID 24878671) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
PubChem CID24878671
Molecular FormulaC25H19N5O3
Molecular Weight437.46 g/mol
Exact Mass437.15
IUPAC NameN-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(-c5cnco5)c4)n3)cccc12
InChIInChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30)
InChIKeyIAHKIERABNTWLV-UHFFFAOYSA-N
XLogP5.78
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.46
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide (CID 24878671) is N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(Oc3cncc(Nc4cccc(-c5cnco5)c4)n3)cccc12.
What is the InChIKey of N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
The InChIKey is IAHKIERABNTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-16(31)28-21-9-3-8-20-19(21)7-4-10-22(20)33-25-14-26-13-24(30-25)29-18-6-2-5-17(11-18)23-12-27-15-32-23/h2-15H,1H3,(H,28,31)(H,29,30).
What are the key properties of N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide?
N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide has a molecular weight of 437.46 g/mol, XLogP of 5.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]oxynaphthalen-1-yl]acetamide is sourced from PubChem (CID 24878671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).