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

C23H24F3N5O3 — CID 134588230

IUPAC5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(C(F)(F)F)CC3)cn2)cn1
InChIInChI=1S/C23H24F3N5O3/c1-13-3-4-15(9-27-13)21-18(14(2)34-31-21)12-33-20-11-28-19(10-29-20)22(32)30-17-7-5-16(6-8-17)23(24,25)26/h3-4,9-11,16-17H,5-8,12H2,1-2H3,(H,30,32)
InChIKeyTUWKJMRKBCKTBU-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.57
Rot. Bonds6

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

5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide (PubChem CID 134588230) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
PubChem CID134588230
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(C(F)(F)F)CC3)cn2)cn1
InChIInChI=1S/C23H24F3N5O3/c1-13-3-4-15(9-27-13)21-18(14(2)34-31-21)12-33-20-11-28-19(10-29-20)22(32)30-17-7-5-16(6-8-17)23(24,25)26/h3-4,9-11,16-17H,5-8,12H2,1-2H3,(H,30,32)
InChIKeyTUWKJMRKBCKTBU-UHFFFAOYSA-N
XLogP4.57
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide (CID 134588230) is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide is Cc1ccc(-c2noc(C)c2COc2cnc(C(=O)NC3CCC(C(F)(F)F)CC3)cn2)cn1.
What is the InChIKey of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
The InChIKey is TUWKJMRKBCKTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-13-3-4-15(9-27-13)21-18(14(2)34-31-21)12-33-20-11-28-19(10-29-20)22(32)30-17-7-5-16(6-8-17)23(24,25)26/h3-4,9-11,16-17H,5-8,12H2,1-2H3,(H,30,32).
What are the key properties of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide?
5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide has a molecular weight of 475.47 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[4-(trifluoromethyl)cyclohexyl]pyrazine-2-carboxamide is sourced from PubChem (CID 134588230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).