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

C16H16N4O3S — CID 68934769

IUPAC(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C16H16N4O3S/c1-10-12(8-17-22-10)16(21)20-6-2-4-11(9-20)15-18-14(19-23-15)13-5-3-7-24-13/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1
InChIKeyVYWLQIRMQYEVTE-NSHDSACASA-N
MW344.40 g/mol
LogP3.11
Rot. Bonds3

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

(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 68934769) 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)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID68934769
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1
InChIInChI=1S/C16H16N4O3S/c1-10-12(8-17-22-10)16(21)20-6-2-4-11(9-20)15-18-14(19-23-15)13-5-3-7-24-13/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1
InChIKeyVYWLQIRMQYEVTE-NSHDSACASA-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)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68925744
(3-methylphenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457328
(4-bromophenyl)-[(3R)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457358
(4-bromophenyl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 1457355
(3S)-N-cyclohexyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 1457394
[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 3226119
(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
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 90969026
(3S)-N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 1457234
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 75835258
(2-methylphenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226141

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (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) is (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1oncc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)no2)C1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VYWLQIRMQYEVTE-NSHDSACASA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-12(8-17-22-10)16(21)20-6-2-4-11(9-20)15-18-14(19-23-15)13-5-3-7-24-13/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-thiophen-2-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)-[(3S)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 68934769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).