4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one

C19H22N4O3 — CID 135890158

IUPAC4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
SMILESCCCOc1ccc(-c2nnco2)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-4-9-25-16-8-7-12(19-23-20-11-26-19)10-14(16)17-21-15(6-3)13(5-2)18(24)22-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22,24)
InChIKeySLWLAQXKPRFKDB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.40
Rot. Bonds7

About 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one

4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one (PubChem CID 135890158) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
PubChem CID135890158
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
SMILESCCCOc1ccc(-c2nnco2)cc1-c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C19H22N4O3/c1-4-9-25-16-8-7-12(19-23-20-11-26-19)10-14(16)17-21-15(6-3)13(5-2)18(24)22-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22,24)
InChIKeySLWLAQXKPRFKDB-UHFFFAOYSA-N
XLogP3.40
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one (CID 135890158) is 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one is CCCOc1ccc(-c2nnco2)cc1-c1nc(CC)c(CC)c(=O)[nH]1.
What is the InChIKey of 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one?
The InChIKey is SLWLAQXKPRFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-9-25-16-8-7-12(19-23-20-11-26-19)10-14(16)17-21-15(6-3)13(5-2)18(24)22-17/h7-8,10-11H,4-6,9H2,1-3H3,(H,21,22,24).
What are the key properties of 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one?
4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one has a molecular weight of 354.41 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135890158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).