N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide

C22H23F2N5O3 — CID 134590432

IUPACN-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(F)(F)CC3)cn2)cn1
InChIInChI=1S/C22H23F2N5O3/c1-13-3-4-15(9-25-13)20-17(14(2)32-29-20)12-31-19-11-26-18(10-27-19)21(30)28-16-5-7-22(23,24)8-6-16/h3-4,9-11,16H,5-8,12H2,1-2H3,(H,28,30)
InChIKeyNRPDDGBNDOXOCO-UHFFFAOYSA-N
MW443.45 g/mol
LogP4.03
Rot. Bonds6

About N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide

N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide (PubChem CID 134590432) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
PubChem CID134590432
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC NameN-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(F)(F)CC3)cn2)cn1
InChIInChI=1S/C22H23F2N5O3/c1-13-3-4-15(9-25-13)20-17(14(2)32-29-20)12-31-19-11-26-18(10-27-19)21(30)28-16-5-7-22(23,24)8-6-16/h3-4,9-11,16H,5-8,12H2,1-2H3,(H,28,30)
InChIKeyNRPDDGBNDOXOCO-UHFFFAOYSA-N
XLogP4.03
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide (CID 134590432) is N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide is Cc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(F)(F)CC3)cn2)cn1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide?
The InChIKey is NRPDDGBNDOXOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-13-3-4-15(9-25-13)20-17(14(2)32-29-20)12-31-19-11-26-18(10-27-19)21(30)28-16-5-7-22(23,24)8-6-16/h3-4,9-11,16H,5-8,12H2,1-2H3,(H,28,30).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide?
N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 134590432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).