3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole

C19H26N2O3S — CID 92877907

IUPAC3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1C
InChIInChI=1S/C19H26N2O3S/c1-12(2)16-11-18(24-20-16)17-7-6-8-21(17)25(22,23)19-10-14(4)13(3)9-15(19)5/h9-12,17H,6-8H2,1-5H3/t17-/m1/s1
InChIKeyPTCOQWRCGLCTQT-QGZVFWFLSA-N
MW362.50 g/mol
LogP4.25
Rot. Bonds4

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

3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (PubChem CID 92877907) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
PubChem CID92877907
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1C
InChIInChI=1S/C19H26N2O3S/c1-12(2)16-11-18(24-20-16)17-7-6-8-21(17)25(22,23)19-10-14(4)13(3)9-15(19)5/h9-12,17H,6-8H2,1-5H3/t17-/m1/s1
InChIKeyPTCOQWRCGLCTQT-QGZVFWFLSA-N
XLogP4.25
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877902
5-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 46366393
5-[(2R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 92877887
N-[4-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 92894125
3-ethyl-5-[(2R)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894114
5-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809417
3-[1-(2-methylphenyl)sulfonylpyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809457
(2S)-2-(4-methylphenyl)-1-(2,4,5-trimethylphenyl)sulfonylpiperidine
CID 92502946
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044050
3-ethyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 92894173
2-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanamine
CID 51619083
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096296

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole (CID 92877907) is 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cc(C(C)C)no2)cc1C.
What is the InChIKey of 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is PTCOQWRCGLCTQT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-12(2)16-11-18(24-20-16)17-7-6-8-21(17)25(22,23)19-10-14(4)13(3)9-15(19)5/h9-12,17H,6-8H2,1-5H3/t17-/m1/s1.
What are the key properties of 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole?
3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 362.50 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(2R)-1-(2,4,5-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 92877907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).