1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

C14H15N3O4S — CID 168717692

IUPAC1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(-c2cc(N3CC(S(N)(=O)=O)CC3=O)on2)cc1
InChIInChI=1S/C14H15N3O4S/c1-9-2-4-10(5-3-9)12-7-14(21-16-12)17-8-11(6-13(17)18)22(15,19)20/h2-5,7,11H,6,8H2,1H3,(H2,15,19,20)
InChIKeyAYZPEPWNEGDQNB-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.04
Rot. Bonds3

About 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide

1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168717692) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168717692
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
SMILESCc1ccc(-c2cc(N3CC(S(N)(=O)=O)CC3=O)on2)cc1
InChIInChI=1S/C14H15N3O4S/c1-9-2-4-10(5-3-9)12-7-14(21-16-12)17-8-11(6-13(17)18)22(15,19)20/h2-5,7,11H,6,8H2,1H3,(H2,15,19,20)
InChIKeyAYZPEPWNEGDQNB-UHFFFAOYSA-N
XLogP1.04
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
1-(3-tert-butyl-1,2-oxazol-5-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716862
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871
4-ethynyl-1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168501130
methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714172
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717870
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
1-(2-bromo-5-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717714
4-(chloromethyl)-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168509278
1-(5-bromo-2-methylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717723
1-(2-bromo-4,6-dimethylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717703

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide (CID 168717692) is 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is Cc1ccc(-c2cc(N3CC(S(N)(=O)=O)CC3=O)on2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is AYZPEPWNEGDQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c1-9-2-4-10(5-3-9)12-7-14(21-16-12)17-8-11(6-13(17)18)22(15,19)20/h2-5,7,11H,6,8H2,1H3,(H2,15,19,20).
What are the key properties of 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide?
1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 321.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168717692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).