[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone

C14H15F2N5O2 — CID 121351428

IUPAC[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(F)(F)C2)c(N)nc1-c1ncco1
InChIInChI=1S/C14H15F2N5O2/c1-8-9(12-18-4-6-23-12)20-11(17)10(19-8)13(22)21-5-2-3-14(15,16)7-21/h4,6H,2-3,5,7H2,1H3,(H2,17,20)
InChIKeyXUULFPCWLYGDFF-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.89
Rot. Bonds2

About [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone

[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone (PubChem CID 121351428) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone
PubChem CID121351428
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCCC(F)(F)C2)c(N)nc1-c1ncco1
InChIInChI=1S/C14H15F2N5O2/c1-8-9(12-18-4-6-23-12)20-11(17)10(19-8)13(22)21-5-2-3-14(15,16)7-21/h4,6H,2-3,5,7H2,1H3,(H2,17,20)
InChIKeyXUULFPCWLYGDFF-UHFFFAOYSA-N
XLogP1.89
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The IUPAC name of [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone (CID 121351428) is [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone is Cc1nc(C(=O)N2CCCC(F)(F)C2)c(N)nc1-c1ncco1.
What is the InChIKey of [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone?
The InChIKey is XUULFPCWLYGDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2/c1-8-9(12-18-4-6-23-12)20-11(17)10(19-8)13(22)21-5-2-3-14(15,16)7-21/h4,6H,2-3,5,7H2,1H3,(H2,17,20).
What are the key properties of [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone?
[3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone has a molecular weight of 323.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-methyl-5-(1,3-oxazol-2-yl)pyrazin-2-yl]-(3,3-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 121351428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).