[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

C17H20N4O2S — CID 91774047

IUPAC[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cc3sccc3[nH]2)n1
InChIInChI=1S/C17H20N4O2S/c1-10(2)15-19-16(23-20-15)13-5-3-4-7-21(13)17(22)12-9-14-11(18-12)6-8-24-14/h6,8-10,13,18H,3-5,7H2,1-2H3
InChIKeyOMVFUQJDKJZAJY-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.10
Rot. Bonds3

About [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone

[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (PubChem CID 91774047) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
PubChem CID91774047
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
SMILESCC(C)c1noc(C2CCCCN2C(=O)c2cc3sccc3[nH]2)n1
InChIInChI=1S/C17H20N4O2S/c1-10(2)15-19-16(23-20-15)13-5-3-4-7-21(13)17(22)12-9-14-11(18-12)6-8-24-14/h6,8-10,13,18H,3-5,7H2,1-2H3
InChIKeyOMVFUQJDKJZAJY-UHFFFAOYSA-N
XLogP4.10
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone with MolForge

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Related Compounds

[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72877576
(2-methyl-3H-benzimidazol-5-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70740975
(3-phenyl-1H-pyrazol-5-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95221174
1H-indazol-3-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70728158
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70743968
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 97130670
(2,6-dimethoxypyrimidin-4-yl)-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 95200637
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96572309
[4-(2-methyltetrazol-5-yl)phenyl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 97138705
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545
[1-(2-aminoethyl)triazol-4-yl]-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 70740161
3,4-dihydro-2H-chromen-6-yl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 156609743

Frequently Asked Questions

What is the IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The IUPAC name of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone (CID 91774047) is [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone.
What is the SMILES notation for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The canonical SMILES for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is CC(C)c1noc(C2CCCCN2C(=O)c2cc3sccc3[nH]2)n1.
What is the InChIKey of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
The InChIKey is OMVFUQJDKJZAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10(2)15-19-16(23-20-15)13-5-3-4-7-21(13)17(22)12-9-14-11(18-12)6-8-24-14/h6,8-10,13,18H,3-5,7H2,1-2H3.
What are the key properties of [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone?
[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone has a molecular weight of 344.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 91774047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).