5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide

C22H23N3O4S — CID 55817626

IUPAC5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O4S/c1-16-20(24-22(29-16)17-10-4-2-5-11-17)21(26)23-18-12-6-7-13-19(18)30(27,28)25-14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26)
InChIKeyDCUDLIWWHVRNFF-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.08
Rot. Bonds5

About 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide

5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 55817626) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID55817626
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC Name5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide
SMILESCc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H23N3O4S/c1-16-20(24-22(29-16)17-10-4-2-5-11-17)21(26)23-18-12-6-7-13-19(18)30(27,28)25-14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26)
InChIKeyDCUDLIWWHVRNFF-UHFFFAOYSA-N
XLogP4.08
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 52662748
5-methyl-2-phenyl-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 26289707
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 9118759
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16622271
N-(2-amino-4,5-dichlorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 90882730
1,3-dimethyl-2,4-dioxo-N-(2-piperidin-1-ylsulfonylphenyl)pyrido[2,3-d]pyrimidine-7-carboxamide
CID 55919694
N-(2,4-difluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 26360076
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
1-[[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543649
1-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)triazole-4-carboxamide
CID 60549527
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide (CID 55817626) is 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide is Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is DCUDLIWWHVRNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-16-20(24-22(29-16)17-10-4-2-5-11-17)21(26)23-18-12-6-7-13-19(18)30(27,28)25-14-8-3-9-15-25/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26).
What are the key properties of 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide?
5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-N-(2-piperidin-1-ylsulfonylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 55817626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).