5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole

C15H25N3O3S — CID 164633213

IUPAC5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc([C@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C15H25N3O3S/c1-12-11-16-15(21-12)13(2)17-9-5-14(6-10-17)22(19,20)18-7-3-4-8-18/h11,13-14H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyBBLVPXCXQMMYNQ-ZDUSSCGKSA-N
MW327.45 g/mol
LogP1.93
Rot. Bonds4

About 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole

5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole (PubChem CID 164633213) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole
PubChem CID164633213
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC Name5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole
SMILESCc1cnc([C@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)o1
InChIInChI=1S/C15H25N3O3S/c1-12-11-16-15(21-12)13(2)17-9-5-14(6-10-17)22(19,20)18-7-3-4-8-18/h11,13-14H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyBBLVPXCXQMMYNQ-ZDUSSCGKSA-N
XLogP1.93
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole (CID 164633213) is 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole is Cc1cnc([C@H](C)N2CCC(S(=O)(=O)N3CCCC3)CC2)o1.
What is the InChIKey of 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole?
The InChIKey is BBLVPXCXQMMYNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12-11-16-15(21-12)13(2)17-9-5-14(6-10-17)22(19,20)18-7-3-4-8-18/h11,13-14H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole?
5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole has a molecular weight of 327.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(1S)-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethyl]-1,3-oxazole is sourced from PubChem (CID 164633213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).