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

C16H17N3O5S — CID 3716230

IUPAC[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCN2C(=O)c2ccccc2S(C)(=O)=O)no1
InChIInChI=1S/C16H17N3O5S/c1-11-10-13(17-24-11)16(21)19-9-5-8-18(19)15(20)12-6-3-4-7-14(12)25(2,22)23/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyKTLYOMSZJUJFFY-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.29
Rot. Bonds3

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

[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone (PubChem CID 3716230) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
PubChem CID3716230
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
SMILESCc1cc(C(=O)N2CCCN2C(=O)c2ccccc2S(C)(=O)=O)no1
InChIInChI=1S/C16H17N3O5S/c1-11-10-13(17-24-11)16(21)19-9-5-8-18(19)15(20)12-6-3-4-7-14(12)25(2,22)23/h3-4,6-7,10H,5,8-9H2,1-2H3
InChIKeyKTLYOMSZJUJFFY-UHFFFAOYSA-N
XLogP1.29
TPSA100.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone (CID 3716230) is [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone is Cc1cc(C(=O)N2CCCN2C(=O)c2ccccc2S(C)(=O)=O)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone?
The InChIKey is KTLYOMSZJUJFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-11-10-13(17-24-11)16(21)19-9-5-8-18(19)15(20)12-6-3-4-7-14(12)25(2,22)23/h3-4,6-7,10H,5,8-9H2,1-2H3.
What are the key properties of [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone?
[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone has a molecular weight of 363.40 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone is sourced from PubChem (CID 3716230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).