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

C16H16N4O3S — CID 71793015

IUPAC(5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)no1
InChIInChI=1S/C16H16N4O3S/c1-10-8-13(19-23-10)16(21)20-5-2-11(3-6-20)14-17-18-15(22-14)12-4-7-24-9-12/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyCDXRWFJHUFKXHF-UHFFFAOYSA-N
MW344.40 g/mol
LogP3.11
Rot. Bonds3

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

(5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 71793015) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
PubChem CID71793015
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)no1
InChIInChI=1S/C16H16N4O3S/c1-10-8-13(19-23-10)16(21)20-5-2-11(3-6-20)14-17-18-15(22-14)12-4-7-24-9-12/h4,7-9,11H,2-3,5-6H2,1H3
InChIKeyCDXRWFJHUFKXHF-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

N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-(3-thienylmethyl)propanamide
CID 16190986
N-methyl-3-[5-(5-methylisoxazol-3-yl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-thienyl)ethyl]propanamide
CID 16190737
(5-Methylisoxazol-3-yl)(3-(5-(thiophen-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 44067664
(4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(5-(thiophen-2-yl)isoxazol-3-yl)methanone
CID 71793083
(5-(Thiophen-2-yl)isoxazol-3-yl)(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 72717128
2-(3,5-dimethyl-4-isoxazolyl)-1-[(S)-3-[5-(3-thienyl)-1,3,4-oxadiazol-2-yl]-1-piperidyl]-1-ethanone
CID 97427012
(5-(Thiophen-2-yl)isoxazol-3-yl)(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792978
5-methyl-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)isoxazole-3-carboxamide
CID 49669347
5-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(3-thienylmethyl)isoxazole-3-carboxamide
CID 56705841
3-(3,5-Dimethylisoxazol-4-yl)-1-(4-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)propan-1-one
CID 71792994
2-(3,5-Dimethylisoxazol-4-yl)-1-(3-(5-(thiophen-3-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 72717125
1-[2-(5-Methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 3787656

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone (CID 71793015) is (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CDXRWFJHUFKXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-8-13(19-23-10)16(21)20-5-2-11(3-6-20)14-17-18-15(22-14)12-4-7-24-9-12/h4,7-9,11H,2-3,5-6H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-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-3-yl)-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71793015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).