4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

C17H17N5O2 — CID 91271432

IUPAC4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C17H17N5O2/c1-10-19-9-14(24-10)15-16(18)20-8-13(21-15)11-4-6-12(7-5-11)17(23)22(2)3/h4-9H,1-3H3,(H2,18,20)
InChIKeyDQSDBDNGIWCZBZ-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.39
Rot. Bonds3

About 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide

4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (PubChem CID 91271432) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
PubChem CID91271432
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide
SMILESCc1ncc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1
InChIInChI=1S/C17H17N5O2/c1-10-19-9-14(24-10)15-16(18)20-8-13(21-15)11-4-6-12(7-5-11)17(23)22(2)3/h4-9H,1-3H3,(H2,18,20)
InChIKeyDQSDBDNGIWCZBZ-UHFFFAOYSA-N
XLogP2.39
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide (CID 91271432) is 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is Cc1ncc(-c2nc(-c3ccc(C(=O)N(C)C)cc3)cnc2N)o1.
What is the InChIKey of 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is DQSDBDNGIWCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10-19-9-14(24-10)15-16(18)20-8-13(21-15)11-4-6-12(7-5-11)17(23)22(2)3/h4-9H,1-3H3,(H2,18,20).
What are the key properties of 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide?
4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 323.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 91271432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).