(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C19H21N5O2S — CID 110221251

IUPAC(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cnc(-c2nc(C3CCCN(C(=O)c4cc(C)c(C)s4)C3)no2)cn1
InChIInChI=1S/C19H21N5O2S/c1-11-7-16(27-13(11)3)19(25)24-6-4-5-14(10-24)17-22-18(26-23-17)15-9-20-12(2)8-21-15/h7-9,14H,4-6,10H2,1-3H3
InChIKeyRBQXWOIIHXRTLH-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.53
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 110221251) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID110221251
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCc1cnc(-c2nc(C3CCCN(C(=O)c4cc(C)c(C)s4)C3)no2)cn1
InChIInChI=1S/C19H21N5O2S/c1-11-7-16(27-13(11)3)19(25)24-6-4-5-14(10-24)17-22-18(26-23-17)15-9-20-12(2)8-21-15/h7-9,14H,4-6,10H2,1-3H3
InChIKeyRBQXWOIIHXRTLH-UHFFFAOYSA-N
XLogP3.53
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4,5-dimethylthiophen-3-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 110221258
2-(3,4-dimethylphenoxy)-1-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 110221259
3-[(3R)-1-[(2-methylphenyl)methyl]piperidin-3-yl]-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 92562032
(3-methyl-1,2-oxazol-5-yl)-[3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 16672677
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 91915276
(3,4-difluorophenyl)-[3-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68967446
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 51503010
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
5-(5-methylpyrazin-2-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025950
6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99752960
5,5-dimethyl-3-[2-[4-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-oxoethyl]oxolan-2-one
CID 110221184
5-(5-methylpyrazin-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72916447

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 110221251) is (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is Cc1cnc(-c2nc(C3CCCN(C(=O)c4cc(C)c(C)s4)C3)no2)cn1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RBQXWOIIHXRTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11-7-16(27-13(11)3)19(25)24-6-4-5-14(10-24)17-22-18(26-23-17)15-9-20-12(2)8-21-15/h7-9,14H,4-6,10H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 383.48 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[3-[5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110221251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).