1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide

C19H25N3O5S — CID 3245908

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C19H25N3O5S/c1-4-26-17-8-6-5-7-16(17)20-19(23)15-9-11-22(12-10-15)28(24,25)18-13(2)21-27-14(18)3/h5-8,15H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyUAZNTAOCDKFQRG-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.73
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 3245908) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID3245908
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C19H25N3O5S/c1-4-26-17-8-6-5-7-16(17)20-19(23)15-9-11-22(12-10-15)28(24,25)18-13(2)21-27-14(18)3/h5-8,15H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyUAZNTAOCDKFQRG-UHFFFAOYSA-N
XLogP2.73
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide (CID 3245908) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is UAZNTAOCDKFQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-4-26-17-8-6-5-7-16(17)20-19(23)15-9-11-22(12-10-15)28(24,25)18-13(2)21-27-14(18)3/h5-8,15H,4,9-12H2,1-3H3,(H,20,23).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 3245908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).