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

C16H19N3O4S — CID 6469593

IUPAC5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-11-15(18-23-12)16(20)17-13-5-7-14(8-6-13)24(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyCECQEFCMCOWJNQ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.41
Rot. Bonds4

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

5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 6469593) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID6469593
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C16H19N3O4S/c1-12-11-15(18-23-12)16(20)17-13-5-7-14(8-6-13)24(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20)
InChIKeyCECQEFCMCOWJNQ-UHFFFAOYSA-N
XLogP2.41
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 26285878
3-ethyl-5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 6468193
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 58326585
3-ethyl-5-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2-oxazole-4-carboxamide
CID 17070736
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 4849644
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 16551770
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dimethylbenzamide
CID 26931358
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide (CID 6469593) is 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1.
What is the InChIKey of 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is CECQEFCMCOWJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-12-11-15(18-23-12)16(20)17-13-5-7-14(8-6-13)24(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10H2,1H3,(H,17,20).
What are the key properties of 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6469593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).