5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C14H19N5O3 — CID 166239006

IUPAC5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCn1ccc(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)n1
InChIInChI=1S/C14H19N5O3/c1-18-7-6-11(17-18)2-3-12(20)19-8-4-10(5-9-19)13-15-16-14(21)22-13/h6-7,10H,2-5,8-9H2,1H3,(H,16,21)
InChIKeyIWVYKYSBWXVUNO-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.44
Rot. Bonds4

About 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166239006) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166239006
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCn1ccc(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)n1
InChIInChI=1S/C14H19N5O3/c1-18-7-6-11(17-18)2-3-12(20)19-8-4-10(5-9-19)13-15-16-14(21)22-13/h6-7,10H,2-5,8-9H2,1H3,(H,16,21)
InChIKeyIWVYKYSBWXVUNO-UHFFFAOYSA-N
XLogP0.44
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 166239006) is 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is Cn1ccc(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)n1.
What is the InChIKey of 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is IWVYKYSBWXVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-18-7-6-11(17-18)2-3-12(20)19-8-4-10(5-9-19)13-15-16-14(21)22-13/h6-7,10H,2-5,8-9H2,1H3,(H,16,21).
What are the key properties of 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 305.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(1-methylpyrazol-3-yl)propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166239006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).