3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one

C14H16ClN5O3 — CID 90653077

IUPAC3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C(CCc1cc(Cl)no1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C14H16ClN5O3/c15-11-9-10(23-18-11)1-2-12(21)19-5-7-20(8-6-19)13-14(22)17-4-3-16-13/h3-4,9H,1-2,5-8H2,(H,17,22)
InChIKeyKFWQRYHCUOCCFD-UHFFFAOYSA-N
MW337.77 g/mol
LogP0.69
Rot. Bonds4

About 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one

3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one (PubChem CID 90653077) has the molecular formula C14H16ClN5O3 and a molecular weight of 337.77 g/mol. Its IUPAC name is 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
PubChem CID90653077
Molecular FormulaC14H16ClN5O3
Molecular Weight337.77 g/mol
Exact Mass337.09
IUPAC Name3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one
SMILESO=C(CCc1cc(Cl)no1)N1CCN(c2ncc[nH]c2=O)CC1
InChIInChI=1S/C14H16ClN5O3/c15-11-9-10(23-18-11)1-2-12(21)19-5-7-20(8-6-19)13-14(22)17-4-3-16-13/h3-4,9H,1-2,5-8H2,(H,17,22)
InChIKeyKFWQRYHCUOCCFD-UHFFFAOYSA-N
XLogP0.69
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one (CID 90653077) is 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one is O=C(CCc1cc(Cl)no1)N1CCN(c2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
The InChIKey is KFWQRYHCUOCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O3/c15-11-9-10(23-18-11)1-2-12(21)19-5-7-20(8-6-19)13-14(22)17-4-3-16-13/h3-4,9H,1-2,5-8H2,(H,17,22).
What are the key properties of 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one?
3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one has a molecular weight of 337.77 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]piperazin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 90653077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).