4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

C15H25N5O3 — CID 50977917

IUPAC4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CCN3CCCO3)CC2)n[nH]c1=O
InChIInChI=1S/C15H25N5O3/c1-2-20-14(16-17-15(20)22)12-4-8-18(9-5-12)13(21)6-10-19-7-3-11-23-19/h12H,2-11H2,1H3,(H,17,22)
InChIKeyMNUDAXMABHHKSC-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.32
Rot. Bonds5

About 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one

4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (PubChem CID 50977917) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
PubChem CID50977917
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
SMILESCCn1c(C2CCN(C(=O)CCN3CCCO3)CC2)n[nH]c1=O
InChIInChI=1S/C15H25N5O3/c1-2-20-14(16-17-15(20)22)12-4-8-18(9-5-12)13(21)6-10-19-7-3-11-23-19/h12H,2-11H2,1H3,(H,17,22)
InChIKeyMNUDAXMABHHKSC-UHFFFAOYSA-N
XLogP0.32
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one (CID 50977917) is 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is CCn1c(C2CCN(C(=O)CCN3CCCO3)CC2)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
The InChIKey is MNUDAXMABHHKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-2-20-14(16-17-15(20)22)12-4-8-18(9-5-12)13(21)6-10-19-7-3-11-23-19/h12H,2-11H2,1H3,(H,17,22).
What are the key properties of 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one?
4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one has a molecular weight of 323.40 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50977917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).