1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C17H22N4O3 — CID 53191971

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O3/c1-10-13(11(2)23-19-10)9-15(22)21-8-4-3-5-14(21)17-18-16(20-24-17)12-6-7-12/h12,14H,3-9H2,1-2H3
InChIKeyVUDWDLBJZFAPQG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.85
Rot. Bonds4

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 53191971) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID53191971
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCCCC1c1nc(C2CC2)no1
InChIInChI=1S/C17H22N4O3/c1-10-13(11(2)23-19-10)9-15(22)21-8-4-3-5-14(21)17-18-16(20-24-17)12-6-7-12/h12,14H,3-9H2,1-2H3
InChIKeyVUDWDLBJZFAPQG-UHFFFAOYSA-N
XLogP2.85
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 53191971) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCCCC1c1nc(C2CC2)no1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is VUDWDLBJZFAPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-13(11(2)23-19-10)9-15(22)21-8-4-3-5-14(21)17-18-16(20-24-17)12-6-7-12/h12,14H,3-9H2,1-2H3.
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 330.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 53191971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).