3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C14H15F2N5O2 — CID 121351212

IUPAC3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCC2(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C14H15F2N5O2/c1-7-9(13-18-5-6-23-13)21-11(17)10(19-7)12(22)20-8-3-2-4-14(8,15)16/h5-6,8H,2-4H2,1H3,(H2,17,21)(H,20,22)
InChIKeyPLPRGZBIRBJVRV-UHFFFAOYSA-N
MW323.30 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351212) has the molecular formula C14H15F2N5O2 and a molecular weight of 323.30 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351212
Molecular FormulaC14H15F2N5O2
Molecular Weight323.30 g/mol
Exact Mass323.12
IUPAC Name3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCCC2(F)F)c(N)nc1-c1ncco1
InChIInChI=1S/C14H15F2N5O2/c1-7-9(13-18-5-6-23-13)21-11(17)10(19-7)12(22)20-8-3-2-4-14(8,15)16/h5-6,8H,2-4H2,1H3,(H2,17,21)(H,20,22)
InChIKeyPLPRGZBIRBJVRV-UHFFFAOYSA-N
XLogP1.94
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351212) is 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCCC2(F)F)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is PLPRGZBIRBJVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5O2/c1-7-9(13-18-5-6-23-13)21-11(17)10(19-7)12(22)20-8-3-2-4-14(8,15)16/h5-6,8H,2-4H2,1H3,(H2,17,21)(H,20,22).
What are the key properties of 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 323.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).