3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole

C16H19N3O5S — CID 92877789

IUPAC3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C16H19N3O5S/c1-2-4-13-11-15(17-24-13)16-5-3-10-18(16)25(22,23)14-8-6-12(7-9-14)19(20)21/h6-9,11,16H,2-5,10H2,1H3/t16-/m1/s1
InChIKeyRDWAXKMQGMNBHX-MRXNPFEDSA-N
MW365.41 g/mol
LogP3.06
Rot. Bonds6

About 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole

3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole (PubChem CID 92877789) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
PubChem CID92877789
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
SMILESCCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1
InChIInChI=1S/C16H19N3O5S/c1-2-4-13-11-15(17-24-13)16-5-3-10-18(16)25(22,23)14-8-6-12(7-9-14)19(20)21/h6-9,11,16H,2-5,10H2,1H3/t16-/m1/s1
InChIKeyRDWAXKMQGMNBHX-MRXNPFEDSA-N
XLogP3.06
TPSA106.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92894039
3-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893943
3-[(2R)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893944
3-[1-(2-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 46366338
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809472
5-propyl-3-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92893936
3-[(2R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 92893996
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
(2S)-2-(3,4-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 25472225
3-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92893927
3-[(2R)-1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92877769
(2S)-2-methyl-1-(4-nitrophenyl)sulfonylpiperidine
CID 779289

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The IUPAC name of 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole (CID 92877789) is 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole.
What is the SMILES notation for 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The canonical SMILES for 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole is CCCc1cc([C@H]2CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)no1.
What is the InChIKey of 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
The InChIKey is RDWAXKMQGMNBHX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-2-4-13-11-15(17-24-13)16-5-3-10-18(16)25(22,23)14-8-6-12(7-9-14)19(20)21/h6-9,11,16H,2-5,10H2,1H3/t16-/m1/s1.
What are the key properties of 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole?
3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole has a molecular weight of 365.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-propyl-1,2-oxazole is sourced from PubChem (CID 92877789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).