ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate

C18H23N5O5 — CID 91950896

IUPACethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C18H23N5O5/c1-3-27-18(26)13-4-7-22(8-5-13)15(24)6-9-23-11-19-10-14(17(23)25)16-20-12(2)21-28-16/h10-11,13H,3-9H2,1-2H3
InChIKeyWCXJWBSPRLRDNC-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.79
Rot. Bonds6

About ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate

ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate (PubChem CID 91950896) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
PubChem CID91950896
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Nameethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1
InChIInChI=1S/C18H23N5O5/c1-3-27-18(26)13-4-7-22(8-5-13)15(24)6-9-23-11-19-10-14(17(23)25)16-20-12(2)21-28-16/h10-11,13H,3-9H2,1-2H3
InChIKeyWCXJWBSPRLRDNC-UHFFFAOYSA-N
XLogP0.79
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate (CID 91950896) is ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCn2cncc(-c3nc(C)no3)c2=O)CC1.
What is the InChIKey of ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
The InChIKey is WCXJWBSPRLRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-3-27-18(26)13-4-7-22(8-5-13)15(24)6-9-23-11-19-10-14(17(23)25)16-20-12(2)21-28-16/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 91950896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).