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

C15H23N3O4S — CID 91910291

IUPAC(4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H23N3O4S/c1-11-14(22-10-16-11)15(19)17-6-3-13(9-17)12-4-7-18(8-5-12)23(2,20)21/h10,12-13H,3-9H2,1-2H3
InChIKeyRQVBEHDBSSTIFO-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.12
Rot. Bonds3

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

(4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91910291) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91910291
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1ncoc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H23N3O4S/c1-11-14(22-10-16-11)15(19)17-6-3-13(9-17)12-4-7-18(8-5-12)23(2,20)21/h10,12-13H,3-9H2,1-2H3
InChIKeyRQVBEHDBSSTIFO-UHFFFAOYSA-N
XLogP1.12
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US11142526, Example 130
CID 137533205
N-[(5R,9R)-2-(4-methyl-1,3-oxazole-5-carbonyl)-6-oxa-2-azaspiro[4.5]decan-9-yl]methanesulfonamide
CID 97420140
7-(Cyclohexylmethyl)-2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45214647
1'-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56870910
N-methyl-4-{1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}tetrahydro-1(2H)-pyridinecarboxamide
CID 91921351
1-{4-(Methoxymethyl)-8-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,8-diazaspiro[4.5]dec-2-yl}-1-ethanone
CID 91922122
N-{4-[(Dimethylamino)methyl]-1-methanesulfonylpyrrolidin-3-YL}-4-methyl-1,3-oxazole-5-carboxamide
CID 91923111
5-({1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}carbonyl)-1,5-diazacycloundecan-2-one
CID 110201698
N-{4-(2-methoxyethyl)-1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-4-piperidyl}methanesulfonamide
CID 124045903
(5S)-7-(cyclohexylmethyl)-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25447459
[(5R)-9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 42515065
(4-methyl-1,3-oxazol-5-yl)-[(3R)-3-(2,2,2-trifluoroethyl)piperidin-1-yl]methanone
CID 164636294

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91910291) is (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is Cc1ncoc1C(=O)N1CCC(C2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is RQVBEHDBSSTIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-14(22-10-16-11)15(19)17-6-3-13(9-17)12-4-7-18(8-5-12)23(2,20)21/h10,12-13H,3-9H2,1-2H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
(4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.43 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-oxazol-5-yl)-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91910291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).