3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

C15H19N5O4 — CID 91950880

IUPAC3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCC3CCCO3)c2=O)n1
InChIInChI=1S/C15H19N5O4/c1-10-18-14(24-19-10)12-8-16-9-20(15(12)22)5-4-13(21)17-7-11-3-2-6-23-11/h8-9,11H,2-7H2,1H3,(H,17,21)
InChIKeyOHGNPDTXQQONEM-UHFFFAOYSA-N
MW333.35 g/mol
LogP0.29
Rot. Bonds6

About 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide

3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 91950880) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID91950880
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1noc(-c2cncn(CCC(=O)NCC3CCCO3)c2=O)n1
InChIInChI=1S/C15H19N5O4/c1-10-18-14(24-19-10)12-8-16-9-20(15(12)22)5-4-13(21)17-7-11-3-2-6-23-11/h8-9,11H,2-7H2,1H3,(H,17,21)
InChIKeyOHGNPDTXQQONEM-UHFFFAOYSA-N
XLogP0.29
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide (CID 91950880) is 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is Cc1noc(-c2cncn(CCC(=O)NCC3CCCO3)c2=O)n1.
What is the InChIKey of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is OHGNPDTXQQONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-10-18-14(24-19-10)12-8-16-9-20(15(12)22)5-4-13(21)17-7-11-3-2-6-23-11/h8-9,11H,2-7H2,1H3,(H,17,21).
What are the key properties of 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide?
3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 333.35 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-6-oxopyrimidin-1-yl]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 91950880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).