formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione

C15H24N4O5 — CID 166599318

IUPACformic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2nc(C(C)C)no2)[C@@H](C)C1=O.O=CO
InChIInChI=1S/C14H22N4O3.CH2O2/c1-5-6-17-8-12(19)18(10(4)14(17)20)7-11-15-13(9(2)3)16-21-11;2-1-3/h9-10H,5-8H2,1-4H3;1H,(H,2,3)/t10-;/m0./s1
InChIKeyABLRWJOXWFNXKC-PPHPATTJSA-N
MW340.38 g/mol
LogP0.86
Rot. Bonds5

About formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione

formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione (PubChem CID 166599318) has the molecular formula C15H24N4O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Nameformic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione
PubChem CID166599318
Molecular FormulaC15H24N4O5
Molecular Weight340.38 g/mol
Exact Mass340.17
IUPAC Nameformic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2nc(C(C)C)no2)[C@@H](C)C1=O.O=CO
InChIInChI=1S/C14H22N4O3.CH2O2/c1-5-6-17-8-12(19)18(10(4)14(17)20)7-11-15-13(9(2)3)16-21-11;2-1-3/h9-10H,5-8H2,1-4H3;1H,(H,2,3)/t10-;/m0./s1
InChIKeyABLRWJOXWFNXKC-PPHPATTJSA-N
XLogP0.86
TPSA116.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione?
The IUPAC name of formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione (CID 166599318) is formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione.
What is the SMILES notation for formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione?
The canonical SMILES for formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2nc(C(C)C)no2)[C@@H](C)C1=O.O=CO.
What is the InChIKey of formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione?
The InChIKey is ABLRWJOXWFNXKC-PPHPATTJSA-N. The full InChI is InChI=1S/C14H22N4O3.CH2O2/c1-5-6-17-8-12(19)18(10(4)14(17)20)7-11-15-13(9(2)3)16-21-11;2-1-3/h9-10H,5-8H2,1-4H3;1H,(H,2,3)/t10-;/m0./s1.
What are the key properties of formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione?
formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione has a molecular weight of 340.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(3S)-3-methyl-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 166599318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).