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

C19H25N3O4S — CID 7436932

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-15-5-7-17(8-6-15)20-19(23)16-9-11-22(12-10-16)27(24,25)18-13(2)21-26-14(18)3/h5-8,16H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyPHZFCSZAFAVFCK-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.89
Rot. Bonds5

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

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide (PubChem CID 7436932) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
PubChem CID7436932
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-4-15-5-7-17(8-6-15)20-19(23)16-9-11-22(12-10-16)27(24,25)18-13(2)21-26-14(18)3/h5-8,16H,4,9-12H2,1-3H3,(H,20,23)
InChIKeyPHZFCSZAFAVFCK-UHFFFAOYSA-N
XLogP2.89
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide (CID 7436932) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide is CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide?
The InChIKey is PHZFCSZAFAVFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-4-15-5-7-17(8-6-15)20-19(23)16-9-11-22(12-10-16)27(24,25)18-13(2)21-26-14(18)3/h5-8,16H,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-(4-ethylphenyl)piperidine-4-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 7436932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).