5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

C20H26N4O5S — CID 4849644

IUPAC5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)no1
InChIInChI=1S/C20H26N4O5S/c1-15-13-18(22-29-15)20(25)21-17-14-16(30(26,27)24-9-11-28-12-10-24)5-6-19(17)23-7-3-2-4-8-23/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,25)
InChIKeyKEYHWQXFUAAMBQ-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.25
Rot. Bonds5

About 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 4849644) has the molecular formula C20H26N4O5S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID4849644
Molecular FormulaC20H26N4O5S
Molecular Weight434.52 g/mol
Exact Mass434.16
IUPAC Name5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)no1
InChIInChI=1S/C20H26N4O5S/c1-15-13-18(22-29-15)20(25)21-17-14-16(30(26,27)24-9-11-28-12-10-24)5-6-19(17)23-7-3-2-4-8-23/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,25)
InChIKeyKEYHWQXFUAAMBQ-UHFFFAOYSA-N
XLogP2.25
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1,2-oxazole-5-carboxamide
CID 43031283
N-[2-(azepan-1-yl)-5-morpholin-4-ylsulfonylphenyl]-2-chloropyridine-4-carboxamide
CID 55456739
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
3-methoxy-4-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55411892
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)prop-2-enamide
CID 166404561
2,4-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3951129
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 16546070
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
2,5-difluoro-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 55375411
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 7551095

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide (CID 4849644) is 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCCC2)no1.
What is the InChIKey of 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KEYHWQXFUAAMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S/c1-15-13-18(22-29-15)20(25)21-17-14-16(30(26,27)24-9-11-28-12-10-24)5-6-19(17)23-7-3-2-4-8-23/h5-6,13-14H,2-4,7-12H2,1H3,(H,21,25).
What are the key properties of 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4849644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).