[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone

C20H20N2O2S — CID 135099100

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2csc(C)c2-c2ccccc2)no1
InChIInChI=1S/C20H20N2O2S/c1-13-11-17(21-24-13)18-9-6-10-22(18)20(23)16-12-25-14(2)19(16)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10H2,1-2H3
InChIKeyLEIZFRRLWPUDSY-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.00
Rot. Bonds3

About [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone (PubChem CID 135099100) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
PubChem CID135099100
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2csc(C)c2-c2ccccc2)no1
InChIInChI=1S/C20H20N2O2S/c1-13-11-17(21-24-13)18-9-6-10-22(18)20(23)16-12-25-14(2)19(16)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10H2,1-2H3
InChIKeyLEIZFRRLWPUDSY-UHFFFAOYSA-N
XLogP5.00
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 126441910
(5-ethylthiophen-2-yl)-[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 94002545
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-phenylcyclobutyl)methanone
CID 95587198
cyclopentyl-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 53017082
[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731587
methyl 4-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]benzoate
CID 38349038
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 92731594
(2,3-dimethoxyphenyl)-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 91767685
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
[(2R)-2-(5-methyl-1,2-oxazol-3-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 92553808
(4-chloro-1-methylpyrazol-3-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586624

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone (CID 135099100) is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone is Cc1cc(C2CCCN2C(=O)c2csc(C)c2-c2ccccc2)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone?
The InChIKey is LEIZFRRLWPUDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-11-17(21-24-13)18-9-6-10-22(18)20(23)16-12-25-14(2)19(16)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10H2,1-2H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone?
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone has a molecular weight of 352.46 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(5-methyl-4-phenylthiophen-3-yl)methanone is sourced from PubChem (CID 135099100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).