[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

C15H15F3N2O2S — CID 153168210

IUPAC[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)N3CC[C@@H](C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2S/c1-8-5-6-20(7-8)14(21)11-4-3-10(23-11)12-9(2)13(22-19-12)15(16,17)18/h3-4,8H,5-7H2,1-2H3/t8-/m1/s1
InChIKeyWDRHTXIHIYIION-MRVPVSSYSA-N
MW344.36 g/mol
LogP4.21
Rot. Bonds2

About [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (PubChem CID 153168210) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
PubChem CID153168210
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)N3CC[C@@H](C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C15H15F3N2O2S/c1-8-5-6-20(7-8)14(21)11-4-3-10(23-11)12-9(2)13(22-19-12)15(16,17)18/h3-4,8H,5-7H2,1-2H3/t8-/m1/s1
InChIKeyWDRHTXIHIYIION-MRVPVSSYSA-N
XLogP4.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-methylpiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70274257
[(3R)-3-aminopyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 141232521
(4-iodopiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 118974602
(4-methoxypiperidin-1-yl)-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25211191
[3-(1,1-difluoroethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70571809
[(3R)-3-methoxypiperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 70570754
3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25212112
(3S)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide;(3R)-N-methyl-1-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-carbonyl]piperidine-3-carboxamide
CID 158684490
[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 25211710
ethane;[3-(methylaminomethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
CID 143770954
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 131729828
[3-(4-methylpiperazin-1-yl)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone;hydrochloride
CID 131729825

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (CID 153168210) is [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is Cc1c(-c2ccc(C(=O)N3CC[C@@H](C)C3)s2)noc1C(F)(F)F.
What is the InChIKey of [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is WDRHTXIHIYIION-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-8-5-6-20(7-8)14(21)11-4-3-10(23-11)12-9(2)13(22-19-12)15(16,17)18/h3-4,8H,5-7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
[(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 344.36 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methylpyrrolidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 153168210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).