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

C25H29N3O5S — CID 45107016

IUPAC5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)no2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C25H29N3O5S/c1-17-10-12-28(13-11-17)34(30,31)24-15-19(8-9-22(24)32-4)23-16-21(26-33-23)25(29)27(3)20-7-5-6-18(2)14-20/h5-9,14-17H,10-13H2,1-4H3
InChIKeyRZLSNGFQPJJCPW-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.36
Rot. Bonds6

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

5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 45107016) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID45107016
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC Name5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)no2)cc1S(=O)(=O)N1CCC(C)CC1
InChIInChI=1S/C25H29N3O5S/c1-17-10-12-28(13-11-17)34(30,31)24-15-19(8-9-22(24)32-4)23-16-21(26-33-23)25(29)27(3)20-7-5-6-18(2)14-20/h5-9,14-17H,10-13H2,1-4H3
InChIKeyRZLSNGFQPJJCPW-UHFFFAOYSA-N
XLogP4.36
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide (CID 45107016) is 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide is COc1ccc(-c2cc(C(=O)N(C)c3cccc(C)c3)no2)cc1S(=O)(=O)N1CCC(C)CC1.
What is the InChIKey of 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RZLSNGFQPJJCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-17-10-12-28(13-11-17)34(30,31)24-15-19(8-9-22(24)32-4)23-16-21(26-33-23)25(29)27(3)20-7-5-6-18(2)14-20/h5-9,14-17H,10-13H2,1-4H3.
What are the key properties of 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide?
5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 483.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-N-methyl-N-(3-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45107016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).