[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

C15H17N3O2S — CID 91763073

IUPAC[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C15H17N3O2S/c1-10-9-13(20-17-10)12-6-4-8-18(12)15(19)11-5-3-7-16-14(11)21-2/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyBMIRMAWDRCSGCX-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.08
Rot. Bonds3

About [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone

[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (PubChem CID 91763073) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
PubChem CID91763073
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
SMILESCSc1ncccc1C(=O)N1CCCC1c1cc(C)no1
InChIInChI=1S/C15H17N3O2S/c1-10-9-13(20-17-10)12-6-4-8-18(12)15(19)11-5-3-7-16-14(11)21-2/h3,5,7,9,12H,4,6,8H2,1-2H3
InChIKeyBMIRMAWDRCSGCX-UHFFFAOYSA-N
XLogP3.08
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 92554001
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CID 126840478
[(2S)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 95057633
[2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 53039340
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190536
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190537
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 50951702
[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 51950849
[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone (CID 91763073) is [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The canonical SMILES for [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is CSc1ncccc1C(=O)N1CCCC1c1cc(C)no1.
What is the InChIKey of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
The InChIKey is BMIRMAWDRCSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-9-13(20-17-10)12-6-4-8-18(12)15(19)11-5-3-7-16-14(11)21-2/h3,5,7,9,12H,4,6,8H2,1-2H3.
What are the key properties of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone?
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone has a molecular weight of 303.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone is sourced from PubChem (CID 91763073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).