3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole

C19H25N3O3S — CID 142701260

IUPAC3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(N2CCC(c3nocc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)17-4-2-16(3-5-17)22-11-8-15(12-22)19-18(13-25-21-19)14-6-9-20-10-7-14/h2-5,13-15,20H,6-12H2,1H3
InChIKeyBGGYBNZQCRMGNO-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.54
Rot. Bonds4

About 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole

3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole (PubChem CID 142701260) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole
PubChem CID142701260
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(N2CCC(c3nocc3C3CCNCC3)C2)cc1
InChIInChI=1S/C19H25N3O3S/c1-26(23,24)17-4-2-16(3-5-17)22-11-8-15(12-22)19-18(13-25-21-19)14-6-9-20-10-7-14/h2-5,13-15,20H,6-12H2,1H3
InChIKeyBGGYBNZQCRMGNO-UHFFFAOYSA-N
XLogP2.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole (CID 142701260) is 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole is CS(=O)(=O)c1ccc(N2CCC(c3nocc3C3CCNCC3)C2)cc1.
What is the InChIKey of 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole?
The InChIKey is BGGYBNZQCRMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-26(23,24)17-4-2-16(3-5-17)22-11-8-15(12-22)19-18(13-25-21-19)14-6-9-20-10-7-14/h2-5,13-15,20H,6-12H2,1H3.
What are the key properties of 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole?
3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole has a molecular weight of 375.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-4-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 142701260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).