4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole

C20H19FN2O3S — CID 18824750

IUPAC4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCC3)o2)c1
InChIInChI=1S/C20H19FN2O3S/c1-14-5-4-6-15(13-14)18-22-19(20(26-18)23-11-2-3-12-23)27(24,25)17-9-7-16(21)8-10-17/h4-10,13H,2-3,11-12H2,1H3
InChIKeySPZKYMKOFFHMQU-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.22
Rot. Bonds4

About 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole

4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole (PubChem CID 18824750) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
PubChem CID18824750
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
SMILESCc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCC3)o2)c1
InChIInChI=1S/C20H19FN2O3S/c1-14-5-4-6-15(13-14)18-22-19(20(26-18)23-11-2-3-12-23)27(24,25)17-9-7-16(21)8-10-17/h4-10,13H,2-3,11-12H2,1H3
InChIKeySPZKYMKOFFHMQU-UHFFFAOYSA-N
XLogP4.22
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole (CID 18824750) is 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole is Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCC3)o2)c1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The InChIKey is SPZKYMKOFFHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-14-5-4-6-15(13-14)18-22-19(20(26-18)23-11-2-3-12-23)27(24,25)17-9-7-16(21)8-10-17/h4-10,13H,2-3,11-12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole has a molecular weight of 386.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole is sourced from PubChem (CID 18824750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).