3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C15H17F2N5O2 — CID 121351331

IUPAC3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C15H17F2N5O2/c1-8-10(14-19-6-7-24-14)22-12(18)11(20-8)13(23)21-9-2-4-15(16,17)5-3-9/h6-7,9H,2-5H2,1H3,(H2,18,22)(H,21,23)
InChIKeyDVOHWWJUNILYRI-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.33
Rot. Bonds3

About 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351331) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351331
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC Name3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC(F)(F)CC2)c(N)nc1-c1ncco1
InChIInChI=1S/C15H17F2N5O2/c1-8-10(14-19-6-7-24-14)22-12(18)11(20-8)13(23)21-9-2-4-15(16,17)5-3-9/h6-7,9H,2-5H2,1H3,(H2,18,22)(H,21,23)
InChIKeyDVOHWWJUNILYRI-UHFFFAOYSA-N
XLogP2.33
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(5-fluoropyrimidin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351035
3-amino-N-[(3-fluoropyrazin-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351037
3-amino-N-[(1R,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351041
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 121351137
3-amino-N-[(1S,2R)-2-fluorocyclopentyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351139
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]pyrazine-2-carboxamide
CID 121351150
3-amino-6-methyl-N-[[1-methyl-4-(trifluoromethyl)imidazol-2-yl]methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351163
3-amino-N-(2,2-difluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351212
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
CID 121351254
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)pyrazin-2-yl]methyl]pyrazine-2-carboxamide
CID 121351303
3-amino-N-[[1-(2,2-difluoroethyl)imidazol-2-yl]methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351331) is 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NC2CCC(F)(F)CC2)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is DVOHWWJUNILYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c1-8-10(14-19-6-7-24-14)22-12(18)11(20-8)13(23)21-9-2-4-15(16,17)5-3-9/h6-7,9H,2-5H2,1H3,(H2,18,22)(H,21,23).
What are the key properties of 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,4-difluorocyclohexyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).