3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

C19H22N4O3S — CID 71792994

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H22N4O3S/c1-12-16(13(2)26-22-12)3-4-17(24)23-8-5-14(6-9-23)18-20-21-19(25-18)15-7-10-27-11-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyMSNNYQRZOJWCMM-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.74
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 71792994) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID71792994
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCc1noc(C)c1CCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1
InChIInChI=1S/C19H22N4O3S/c1-12-16(13(2)26-22-12)3-4-17(24)23-8-5-14(6-9-23)18-20-21-19(25-18)15-7-10-27-11-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyMSNNYQRZOJWCMM-UHFFFAOYSA-N
XLogP3.74
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one (CID 71792994) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is Cc1noc(C)c1CCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MSNNYQRZOJWCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12-16(13(2)26-22-12)3-4-17(24)23-8-5-14(6-9-23)18-20-21-19(25-18)15-7-10-27-11-15/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 386.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71792994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).