2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide

C17H19F3N4O4S — CID 156549734

IUPAC2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCCC2)co1
InChIInChI=1S/C17H19F3N4O4S/c1-11-5-6-12(17(18,19)20)9-13(11)21-16-22-14(10-28-16)15(25)23-29(26,27)24-7-3-2-4-8-24/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeyKKCBBEDKSFECOA-UHFFFAOYSA-N
MW432.42 g/mol
LogP3.21
Rot. Bonds5

About 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide

2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide (PubChem CID 156549734) has the molecular formula C17H19F3N4O4S and a molecular weight of 432.42 g/mol. Its IUPAC name is 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
PubChem CID156549734
Molecular FormulaC17H19F3N4O4S
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC Name2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide
SMILESCc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCCC2)co1
InChIInChI=1S/C17H19F3N4O4S/c1-11-5-6-12(17(18,19)20)9-13(11)21-16-22-14(10-28-16)15(25)23-29(26,27)24-7-3-2-4-8-24/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,25)
InChIKeyKKCBBEDKSFECOA-UHFFFAOYSA-N
XLogP3.21
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

Nlrp3-IN-25
CID 156548931
US20230399319, Example 2-068
CID 156549519
US20230399319, Example 2-069
CID 156549522
US20230399319, Example 13
CID 156549528
US20230399319, Example 2-040
CID 156549535
US20230399319, Example 68
CID 156549577
US20230399319, Example 2-118
CID 156549587
US20230399319, Example 2-036
CID 156549697
US20230399319, Example 2-032
CID 156549700
US20230399319, Example 70
CID 156549815
US20230399319, Example 69
CID 156549817
US20230399319, Example 2-030
CID 156549832

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide (CID 156549734) is 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide is Cc1ccc(C(F)(F)F)cc1Nc1nc(C(=O)NS(=O)(=O)N2CCCCC2)co1.
What is the InChIKey of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
The InChIKey is KKCBBEDKSFECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O4S/c1-11-5-6-12(17(18,19)20)9-13(11)21-16-22-14(10-28-16)15(25)23-29(26,27)24-7-3-2-4-8-24/h5-6,9-10H,2-4,7-8H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide?
2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-5-(trifluoromethyl)anilino]-N-piperidin-1-ylsulfonyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 156549734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).