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

C21H17N5O2 — CID 11574273

IUPACN-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyNJENIOUMKVKNRM-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.50
Rot. Bonds5

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

N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide (PubChem CID 11574273) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide
PubChem CID11574273
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1
InChIInChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26)
InChIKeyNJENIOUMKVKNRM-UHFFFAOYSA-N
XLogP4.50
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide (CID 11574273) is N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1.
What is the InChIKey of N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is NJENIOUMKVKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-14(27)24-17-6-2-4-15(8-17)19-10-22-12-21(26-19)25-18-7-3-5-16(9-18)20-11-23-13-28-20/h2-13H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[3-(1,3-oxazol-5-yl)anilino]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11574273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).