5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole

C14H23N3O3S — CID 51584464

IUPAC5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)no1
InChIInChI=1S/C14H23N3O3S/c1-12-11-13(15-20-12)14-7-3-2-4-10-17(14)21(18,19)16-8-5-6-9-16/h11,14H,2-10H2,1H3/t14-/m1/s1
InChIKeyDVRIFMLOZYJQIY-CQSZACIVSA-N
MW313.42 g/mol
LogP2.24
Rot. Bonds3

About 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole

5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole (PubChem CID 51584464) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
PubChem CID51584464
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
SMILESCc1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)no1
InChIInChI=1S/C14H23N3O3S/c1-12-11-13(15-20-12)14-7-3-2-4-10-17(14)21(18,19)16-8-5-6-9-16/h11,14H,2-10H2,1H3/t14-/m1/s1
InChIKeyDVRIFMLOZYJQIY-CQSZACIVSA-N
XLogP2.24
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 93070178
5-(1,3-benzodioxol-5-yl)-3-[(2S)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole
CID 92571987
cyclohexyl-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002505
cyclohexyl-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002506
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
5-methyl-3-[1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidin-2-yl]-1,2-oxazole
CID 50809596
N,N-dimethyl-3-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166536
N,N-dimethyl-3-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]propane-1-sulfonamide
CID 125166534
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
5-(methoxymethyl)-3-[(2S)-1-piperidin-1-ylsulfonylazepan-2-yl]-1,2,4-oxadiazole
CID 97344886
2-methyl-1-piperidin-1-ylsulfonylpiperidine
CID 60723774
5-methyl-3-[(2S)-1-pyrimidin-2-ylpyrrolidin-2-yl]-1,2-oxazole
CID 39998429

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole (CID 51584464) is 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole is Cc1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)no1.
What is the InChIKey of 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole?
The InChIKey is DVRIFMLOZYJQIY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-12-11-13(15-20-12)14-7-3-2-4-10-17(14)21(18,19)16-8-5-6-9-16/h11,14H,2-10H2,1H3/t14-/m1/s1.
What are the key properties of 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole?
5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole has a molecular weight of 313.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(2R)-1-pyrrolidin-1-ylsulfonylazepan-2-yl]-1,2-oxazole is sourced from PubChem (CID 51584464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).