2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C20H25F3N4O3 — CID 59301343

IUPAC2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ccc(NC(=O)c2nc(C3CCCCC3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H25F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,25,28)
InChIKeyNSMSYKDAZAZAFJ-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.47
Rot. Bonds7

About 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 59301343) has the molecular formula C20H25F3N4O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID59301343
Molecular FormulaC20H25F3N4O3
Molecular Weight426.44 g/mol
Exact Mass426.19
IUPAC Name2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCCN(C)c1ccc(NC(=O)c2nc(C3CCCCC3)oc2C(F)(F)F)cn1
InChIInChI=1S/C20H25F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,25,28)
InChIKeyNSMSYKDAZAZAFJ-UHFFFAOYSA-N
XLogP4.47
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 59301343) is 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCCN(C)c1ccc(NC(=O)c2nc(C3CCCCC3)oc2C(F)(F)F)cn1.
What is the InChIKey of 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is NSMSYKDAZAZAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,25,28).
What are the key properties of 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59301343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).