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

C17H18N4O2S — CID 95336035

IUPAC[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2cccs2)nc1C(=O)N1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H18N4O2S/c1-11-15(19-16(23-11)14-6-4-8-24-14)17(22)21-7-3-5-13(21)12-9-18-20(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1
InChIKeyBXZPCHQLMGSUHI-CYBMUJFWSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds3

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

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 95336035) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID95336035
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2cccs2)nc1C(=O)N1CCC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C17H18N4O2S/c1-11-15(19-16(23-11)14-6-4-8-24-14)17(22)21-7-3-5-13(21)12-9-18-20(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1
InChIKeyBXZPCHQLMGSUHI-CYBMUJFWSA-N
XLogP3.42
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-cyclohexylpyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 52535097
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
(3,5-dimethyl-2-pyridinyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136521822
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95569607
1-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 171136838
[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone
CID 95589955
4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 56825237
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 51947532
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone (CID 95336035) is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone is Cc1oc(-c2cccs2)nc1C(=O)N1CCC[C@@H]1c1cnn(C)c1.
What is the InChIKey of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is BXZPCHQLMGSUHI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-15(19-16(23-11)14-6-4-8-24-14)17(22)21-7-3-5-13(21)12-9-18-20(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone?
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 95336035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).