N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

C18H23N3O4S — CID 6468073

IUPACN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-15-6-4-5-11-21(15)26(23,24)16-9-7-14(8-10-16)19-18(22)17-12-13(2)25-20-17/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyLIXIQYPVNKFOPX-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 6468073) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID6468073
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C18H23N3O4S/c1-3-15-6-4-5-11-21(15)26(23,24)16-9-7-14(8-10-16)19-18(22)17-12-13(2)25-20-17/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22)
InChIKeyLIXIQYPVNKFOPX-UHFFFAOYSA-N
XLogP3.19
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 6468073) is N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C)on2)cc1.
What is the InChIKey of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LIXIQYPVNKFOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-15-6-4-5-11-21(15)26(23,24)16-9-7-14(8-10-16)19-18(22)17-12-13(2)25-20-17/h7-10,12,15H,3-6,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 6468073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).