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

C20H20F3N5O3 — CID 134588625

IUPAC5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NCCCC(F)(F)F)cn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-12-4-5-14(8-25-12)18-15(13(2)31-28-18)11-30-17-10-26-16(9-27-17)19(29)24-7-3-6-20(21,22)23/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,29)
InChIKeyQRENCFPTMQNJCY-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.79
Rot. Bonds8

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

5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide (PubChem CID 134588625) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide
PubChem CID134588625
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2cnc(C(=O)NCCCC(F)(F)F)cn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-12-4-5-14(8-25-12)18-15(13(2)31-28-18)11-30-17-10-26-16(9-27-17)19(29)24-7-3-6-20(21,22)23/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,29)
InChIKeyQRENCFPTMQNJCY-UHFFFAOYSA-N
XLogP3.79
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide (CID 134588625) is 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide is Cc1ccc(-c2noc(C)c2COc2cnc(C(=O)NCCCC(F)(F)F)cn2)cn1.
What is the InChIKey of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide?
The InChIKey is QRENCFPTMQNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-12-4-5-14(8-25-12)18-15(13(2)31-28-18)11-30-17-10-26-16(9-27-17)19(29)24-7-3-6-20(21,22)23/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,24,29).
What are the key properties of 5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide?
5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.79, 8 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-(4,4,4-trifluorobutyl)pyrazine-2-carboxamide is sourced from PubChem (CID 134588625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).