2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole

C27H22N2O3S — CID 93016250

IUPAC2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C27H22N2O3S/c30-33(31,23-14-12-20-9-4-5-10-21(20)17-23)29-16-6-11-25(29)27-28-24-18-22(13-15-26(24)32-27)19-7-2-1-3-8-19/h1-5,7-10,12-15,17-18,25H,6,11,16H2/t25-/m1/s1
InChIKeyFPYXEGMGOXTCQE-RUZDIDTESA-N
MW454.55 g/mol
LogP6.17
Rot. Bonds4

About 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole

2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole (PubChem CID 93016250) has the molecular formula C27H22N2O3S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
PubChem CID93016250
Molecular FormulaC27H22N2O3S
Molecular Weight454.55 g/mol
Exact Mass454.14
IUPAC Name2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
SMILESO=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C27H22N2O3S/c30-33(31,23-14-12-20-9-4-5-10-21(20)17-23)29-16-6-11-25(29)27-28-24-18-22(13-15-26(24)32-27)19-7-2-1-3-8-19/h1-5,7-10,12-15,17-18,25H,6,11,16H2/t25-/m1/s1
InChIKeyFPYXEGMGOXTCQE-RUZDIDTESA-N
XLogP6.17
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 93016254
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole
CID 46107748
5-(2,4-difluorophenyl)-2-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3-benzoxazole
CID 93016318
5-(3-fluorophenyl)-2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole
CID 46107761
2-methylsulfonyl-5-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 9188003
5-(4-fluoro-3-methylphenyl)-2-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]-1,3-benzoxazole
CID 42880577
4-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]pyridine
CID 25361203
(3,5-dimethoxyphenyl)-[(2R)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015259
2-[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]-4-phenyl-5-propan-2-yl-1,3-oxazole
CID 95785088
2-[(2R)-1-butylsulfonylpyrrolidin-2-yl]-5-(2-methylphenyl)-1,3-benzoxazole
CID 93016277
(3-fluorophenyl)-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015261
3-(1-naphthalen-2-ylsulfonylpyrrolidin-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 5296046

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole?
The IUPAC name of 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole (CID 93016250) is 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole.
What is the SMILES notation for 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole?
The canonical SMILES for 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole is O=S(=O)(c1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole?
The InChIKey is FPYXEGMGOXTCQE-RUZDIDTESA-N. The full InChI is InChI=1S/C27H22N2O3S/c30-33(31,23-14-12-20-9-4-5-10-21(20)17-23)29-16-6-11-25(29)27-28-24-18-22(13-15-26(24)32-27)19-7-2-1-3-8-19/h1-5,7-10,12-15,17-18,25H,6,11,16H2/t25-/m1/s1.
What are the key properties of 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole?
2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole has a molecular weight of 454.55 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]-5-phenyl-1,3-benzoxazole is sourced from PubChem (CID 93016250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).