1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

C14H17N3O4S — CID 33339009

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1cc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1
InChIInChI=1S/C14H17N3O4S/c1-11-8-12(15-21-11)9-16-10-13(4-5-14(16)18)22(19,20)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyYPAUOLPPPSOZKZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.98
Rot. Bonds4

About 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 33339009) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID33339009
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCc1cc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1
InChIInChI=1S/C14H17N3O4S/c1-11-8-12(15-21-11)9-16-10-13(4-5-14(16)18)22(19,20)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyYPAUOLPPPSOZKZ-UHFFFAOYSA-N
XLogP0.98
TPSA85.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyridin-2-one
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(5-methyl-1,2-oxazol-3-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
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5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
5-(azepan-1-ylsulfonyl)-1-[(3-methoxyphenyl)methyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 33339009) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is Cc1cc(Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)no1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is YPAUOLPPPSOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-11-8-12(15-21-11)9-16-10-13(4-5-14(16)18)22(19,20)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 323.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 33339009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).