1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride

C14H13FN2O5S — CID 168714172

IUPAC1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cccc(-c2cc(N3CC(S(=O)(=O)F)CC3=O)on2)c1
InChIInChI=1S/C14H13FN2O5S/c1-21-10-4-2-3-9(5-10)12-7-14(22-16-12)17-8-11(6-13(17)18)23(15,19)20/h2-5,7,11H,6,8H2,1H3
InChIKeyIXLFOIZSNXVPDN-UHFFFAOYSA-N
MW340.33 g/mol
LogP1.75
Rot. Bonds4

About 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride

1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714172) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714172
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESCOc1cccc(-c2cc(N3CC(S(=O)(=O)F)CC3=O)on2)c1
InChIInChI=1S/C14H13FN2O5S/c1-21-10-4-2-3-9(5-10)12-7-14(22-16-12)17-8-11(6-13(17)18)23(15,19)20/h2-5,7,11H,6,8H2,1H3
InChIKeyIXLFOIZSNXVPDN-UHFFFAOYSA-N
XLogP1.75
TPSA89.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(hydroxymethyl)-1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168662488
methyl 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693526
1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715871
5-oxo-1-(3-phenyl-1,2-oxazol-5-yl)pyrrolidine-3-sulfonamide
CID 168719208
1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168717692
4-(aminomethyl)-1-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168659597
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
4-(bromomethyl)-1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 168505960
methyl 1-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxylate
CID 168693705
1-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714693
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716177
(3aS,6aR)-5-[3-(3-methoxyphenyl)-1,2-oxazole-5-carbonyl]-2-methyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 167751118

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714172) is 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride is COc1cccc(-c2cc(N3CC(S(=O)(=O)F)CC3=O)on2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IXLFOIZSNXVPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c1-21-10-4-2-3-9(5-10)12-7-14(22-16-12)17-8-11(6-13(17)18)23(15,19)20/h2-5,7,11H,6,8H2,1H3.
What are the key properties of 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride?
1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 340.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).