[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone

C17H19N3O5S — CID 23824938

IUPAC[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-11-15(12(2)25-18-11)17(22)20-10-4-9-19(20)16(21)13-5-7-14(8-6-13)26(3,23)24/h5-8H,4,9-10H2,1-3H3
InChIKeyCOIMVHZJRQZVMG-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.60
Rot. Bonds3

About [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone

[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 23824938) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID23824938
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCc1noc(C)c1C(=O)N1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O5S/c1-11-15(12(2)25-18-11)17(22)20-10-4-9-19(20)16(21)13-5-7-14(8-6-13)26(3,23)24/h5-8H,4,9-10H2,1-3H3
InChIKeyCOIMVHZJRQZVMG-UHFFFAOYSA-N
XLogP1.60
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxylate
CID 3413005
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-propan-2-ylpyrazolidine-1-carbothioamide
CID 23770459
1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]butan-1-one
CID 3741194
N-(2,6-diethylphenyl)-2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidine-1-carboxamide
CID 5147270
4-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 137342905
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-[(4-fluorophenyl)methyl]pyrazolidine-1-carboxamide
CID 3602399
3,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9327405
ethyl 5-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-5-oxopentanoate
CID 3738519
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 3849264
3-(2,5-dimethoxyphenyl)-1-[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]prop-2-en-1-one
CID 3813705
1-[2-(6-chloropyridine-3-carbonyl)pyrazolidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 3845276
[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 110646741

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 23824938) is [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone is Cc1noc(C)c1C(=O)N1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is COIMVHZJRQZVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-15(12(2)25-18-11)17(22)20-10-4-9-19(20)16(21)13-5-7-14(8-6-13)26(3,23)24/h5-8H,4,9-10H2,1-3H3.
What are the key properties of [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
[2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 377.42 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrazolidin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 23824938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).