5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

C21H28N4O4S — CID 155512013

IUPAC5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-24(2)14-15-3-7-18(8-4-15)30(27,28)25-11-9-17(10-12-25)22-21(26)19-13-20(29-23-19)16-5-6-16/h3-4,7-8,13,16-17H,5-6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyJDEQZHRIIJULBC-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.20
Rot. Bonds7

About 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide

5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 155512013) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID155512013
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC Name5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
SMILESCN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1
InChIInChI=1S/C21H28N4O4S/c1-24(2)14-15-3-7-18(8-4-15)30(27,28)25-11-9-17(10-12-25)22-21(26)19-13-20(29-23-19)16-5-6-16/h3-4,7-8,13,16-17H,5-6,9-12,14H2,1-2H3,(H,22,26)
InChIKeyJDEQZHRIIJULBC-UHFFFAOYSA-N
XLogP2.20
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide (CID 155512013) is 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is CN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1.
What is the InChIKey of 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JDEQZHRIIJULBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-24(2)14-15-3-7-18(8-4-15)30(27,28)25-11-9-17(10-12-25)22-21(26)19-13-20(29-23-19)16-5-6-16/h3-4,7-8,13,16-17H,5-6,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide?
5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155512013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).