(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

C15H23N3O4S — CID 138024608

IUPAC(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H23N3O4S/c1-12-14(22-11-16-12)15(19)17-9-5-13(6-10-17)23(20,21)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3
InChIKeyIHNALTGUDGUWKA-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.40
Rot. Bonds3

About (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone

(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (PubChem CID 138024608) 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)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
PubChem CID138024608
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
SMILESCc1ncoc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1
InChIInChI=1S/C15H23N3O4S/c1-12-14(22-11-16-12)15(19)17-9-5-13(6-10-17)23(20,21)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3
InChIKeyIHNALTGUDGUWKA-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(5aS,9aR)-1-methylsulfonyl-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 110143103
(2-methylfuran-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138024621
[4-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119518888
(5-methyl-1,2,4-oxadiazol-3-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 138021028
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 112627373
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 138024622
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 81478651
(4-piperidin-1-ylsulfonylpiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 139019899
[4-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25305875
(4-methyl-1,3-oxazol-5-yl)-[(4R)-4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 124963940
(4-methyl-1,3-oxazol-5-yl)-[4-(quinolin-6-ylmethyl)azepan-1-yl]methanone
CID 110098792
1-[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 171148800

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone (CID 138024608) is (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is Cc1ncoc1C(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
The InChIKey is IHNALTGUDGUWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-12-14(22-11-16-12)15(19)17-9-5-13(6-10-17)23(20,21)18-7-3-2-4-8-18/h11,13H,2-10H2,1H3.
What are the key properties of (4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone?
(4-methyl-1,3-oxazol-5-yl)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 1.40, 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)-(4-piperidin-1-ylsulfonylpiperidin-1-yl)methanone is sourced from PubChem (CID 138024608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).