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

C16H18N4O3S — CID 90969026

IUPAC(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCCC(C2=CN(c3cccs3)NO2)C1
InChIInChI=1S/C16H18N4O3S/c1-11-13(8-17-22-11)16(21)19-6-2-4-12(9-19)14-10-20(18-23-14)15-5-3-7-24-15/h3,5,7-8,10,12,18H,2,4,6,9H2,1H3
InChIKeyOVJQVHDNFOOQCC-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.69
Rot. Bonds3

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

(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 90969026) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID90969026
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1oncc1C(=O)N1CCCC(C2=CN(c3cccs3)NO2)C1
InChIInChI=1S/C16H18N4O3S/c1-11-13(8-17-22-11)16(21)19-6-2-4-12(9-19)14-10-20(18-23-14)15-5-3-7-24-15/h3,5,7-8,10,12,18H,2,4,6,9H2,1H3
InChIKeyOVJQVHDNFOOQCC-UHFFFAOYSA-N
XLogP2.69
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
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
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 68925744
[(3S)-3-[3-(2,6-difluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 69108818
[3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 68698649
[3-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 135428867
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 95401226
(5-methyl-1,2-oxazol-4-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 63241557
[3-[3-(4-fluorophenyl)-2H-oxadiazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 69109071
[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 70749855
(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-amino-3-methylpiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 79868336
(5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99975719

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 90969026) is (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1oncc1C(=O)N1CCCC(C2=CN(c3cccs3)NO2)C1.
What is the InChIKey of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OVJQVHDNFOOQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-11-13(8-17-22-11)16(21)19-6-2-4-12(9-19)14-10-20(18-23-14)15-5-3-7-24-15/h3,5,7-8,10,12,18H,2,4,6,9H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone?
(5-methyl-1,2-oxazol-4-yl)-[3-(3-thiophen-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 346.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 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-2-yl-2H-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90969026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).