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

C20H20N2O3S — CID 18824739

IUPAC4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-9-11-16(12-10-15)18-21-19(20(25-18)22-13-5-6-14-22)26(23,24)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyNYVRPMLJJZWNJL-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.08
Rot. Bonds4

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

4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole (PubChem CID 18824739) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
PubChem CID18824739
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole
SMILESCc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-9-11-16(12-10-15)18-21-19(20(25-18)22-13-5-6-14-22)26(23,24)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3
InChIKeyNYVRPMLJJZWNJL-UHFFFAOYSA-N
XLogP4.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-4-(4-ethylphenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18890366
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]morpholine
CID 1110868
4-(benzenesulfonyl)-5-(4-methylpiperidin-1-yl)-2-phenyl-1,3-oxazole
CID 18824785
4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
CID 1154497
5-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 18825236
5-(azepan-1-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 2139834
4-(benzenesulfonyl)-2-(3-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18824804
5-(4-benzylpiperidin-1-yl)-4-(4-chlorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18825385
4-(benzenesulfonyl)-2-(3-chlorophenyl)-5-piperidin-1-yl-1,3-oxazole
CID 4290601
4-(4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)-5-(4-methylpiperidin-1-yl)-1,3-oxazole
CID 18890227
2-(3-methylphenyl)-4-(4-methylphenyl)sulfonyl-5-(4-methylpiperazin-1-yl)-1,3-oxazole
CID 18825067
4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
CID 2964742

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The IUPAC name of 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole (CID 18824739) is 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole.
What is the SMILES notation for 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The canonical SMILES for 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole is Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCCC3)o2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
The InChIKey is NYVRPMLJJZWNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-9-11-16(12-10-15)18-21-19(20(25-18)22-13-5-6-14-22)26(23,24)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-14H2,1H3.
What are the key properties of 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole?
4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole has a molecular weight of 368.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-2-(4-methylphenyl)-5-pyrrolidin-1-yl-1,3-oxazole is sourced from PubChem (CID 18824739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).