5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole

C19H18N2O3S — CID 19258655

IUPAC5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCCC1
InChIInChI=1S/C19H18N2O3S/c22-25(23,21-12-4-5-13-21)17-10-8-16(9-11-17)19-20-14-18(24-19)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2
InChIKeyQVWOHBRSTBHPOJ-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.79
Rot. Bonds4

About 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole

5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole (PubChem CID 19258655) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
PubChem CID19258655
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole
SMILESO=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCCC1
InChIInChI=1S/C19H18N2O3S/c22-25(23,21-12-4-5-13-21)17-10-8-16(9-11-17)19-20-14-18(24-19)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2
InChIKeyQVWOHBRSTBHPOJ-UHFFFAOYSA-N
XLogP3.79
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 19258795
2-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-5-phenyl-1,3-oxazole
CID 19258827
4-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]sulfonylmorpholine
CID 3570882
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
(5-phenyl-1,3-oxazol-2-yl)methyl 4-piperidin-1-ylsulfonylbenzoate
CID 4559248
N-[4-(methylsulfamoyl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258675
N-butan-2-yl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258693
5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258799
N-(5-iodo-2-pyridinyl)-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258782
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]sulfonylmorpholine
CID 24961513

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole (CID 19258655) is 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole is O=S(=O)(c1ccc(-c2ncc(-c3ccccc3)o2)cc1)N1CCCC1.
What is the InChIKey of 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
The InChIKey is QVWOHBRSTBHPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c22-25(23,21-12-4-5-13-21)17-10-8-16(9-11-17)19-20-14-18(24-19)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2.
What are the key properties of 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole?
5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole has a molecular weight of 354.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 19258655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).