N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide

C21H25N3O5S — CID 91949812

IUPACN-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)no2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-30(27,28)17-9-5-14(6-10-17)19-12-18(23-29-19)21(26)24(16-7-8-16)20(25)15-4-3-11-22-13-15/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13H2,1H3
InChIKeyKYWQENKGJVKCQS-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.27
Rot. Bonds6

About N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide

N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide (PubChem CID 91949812) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
PubChem CID91949812
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC NameN-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)no2)cc1
InChIInChI=1S/C21H25N3O5S/c1-2-30(27,28)17-9-5-14(6-10-17)19-12-18(23-29-19)21(26)24(16-7-8-16)20(25)15-4-3-11-22-13-15/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13H2,1H3
InChIKeyKYWQENKGJVKCQS-UHFFFAOYSA-N
XLogP2.27
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-cyclopropyl-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide
CID 91953663
N-cyclopropyl-N-(2-ethylthieno[2,3-b]thiophene-5-carbonyl)piperidine-3-carboxamide
CID 91950476
N-cyclopropyl-N-(piperidine-3-carbonyl)pyrazine-2-carboxamide
CID 91953778
N-cyclopropyl-N-(3,6-dimethyl-1-benzofuran-2-carbonyl)piperidine-3-carboxamide
CID 91953678
N-cyclopropyl-N-(piperidine-3-carbonyl)-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948919
4-ethylsulfonyl-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119554037
N-methyl-N-(1H-pyrrol-3-yl)piperidine-3-carboxamide
CID 115159892
N-cyclopropyl-3-(3-fluorophenyl)-5-methyl-N-(piperidine-3-carbonyl)-4H-1,2-oxazole-5-carboxamide
CID 91953770
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119532812
N-cyclopropyl-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 91953683
N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119532386
5-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119532811

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide (CID 91949812) is N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide is CCS(=O)(=O)c1ccc(-c2cc(C(=O)N(C(=O)C3CCCNC3)C3CC3)no2)cc1.
What is the InChIKey of N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KYWQENKGJVKCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-2-30(27,28)17-9-5-14(6-10-17)19-12-18(23-29-19)21(26)24(16-7-8-16)20(25)15-4-3-11-22-13-15/h5-6,9-10,12,15-16,22H,2-4,7-8,11,13H2,1H3.
What are the key properties of N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide?
N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-ethylsulfonylphenyl)-N-(piperidine-3-carbonyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 91949812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).