(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C16H16N4O3S — CID 68925744

IUPAC(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCCC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C16H16N4O3S/c1-10-13(7-17-22-10)16(21)20-5-2-3-11(8-20)15-18-14(19-23-15)12-4-6-24-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyOWHVTMNWZKUIPA-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.11
Rot. Bonds3

About (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 68925744) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID68925744
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCCC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C16H16N4O3S/c1-10-13(7-17-22-10)16(21)20-5-2-3-11(8-20)15-18-14(19-23-15)12-4-6-24-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyOWHVTMNWZKUIPA-UHFFFAOYSA-N
XLogP3.11
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68934769
2,2-dimethyl-1-[(3R)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 99021860
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 121097186
(3,5-dimethoxyphenyl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097054
N-(4-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 121097314
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(3-methyl-1,2-oxazol-4-yl)methanone
CID 68933445
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 159792245
(4-fluorophenyl)-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456768
(5-chlorothiophen-2-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121097181
(2,4-difluorophenyl)-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1453775

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 68925744) is (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1oncc1C(=O)N1CCCC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OWHVTMNWZKUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-13(7-17-22-10)16(21)20-5-2-3-11(8-20)15-18-14(19-23-15)12-4-6-24-9-12/h4,6-7,9,11H,2-3,5,8H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 344.40 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 68925744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).