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

C17H17N5O2 — CID 11702547

IUPACN-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3cc(C)on3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-11-6-15(22-24-11)8-19-17-10-18-9-16(21-17)13-4-3-5-14(7-13)20-12(2)23/h3-7,9-10H,8H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyUJOLEAOYRSZYCV-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.01
Rot. Bonds5

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

N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide (PubChem CID 11702547) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
PubChem CID11702547
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC NameN-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cncc(NCc3cc(C)on3)n2)c1
InChIInChI=1S/C17H17N5O2/c1-11-6-15(22-24-11)8-19-17-10-18-9-16(21-17)13-4-3-5-14(7-13)20-12(2)23/h3-7,9-10H,8H2,1-2H3,(H,19,21)(H,20,23)
InChIKeyUJOLEAOYRSZYCV-UHFFFAOYSA-N
XLogP3.01
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide (CID 11702547) is N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cncc(NCc3cc(C)on3)n2)c1.
What is the InChIKey of N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is UJOLEAOYRSZYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-6-15(22-24-11)8-19-17-10-18-9-16(21-17)13-4-3-5-14(7-13)20-12(2)23/h3-7,9-10H,8H2,1-2H3,(H,19,21)(H,20,23).
What are the key properties of N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide?
N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 11702547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).