4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one

C15H14N4O2 — CID 51102980

IUPAC4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1CCCc1ccccc1
InChIInChI=1S/C15H14N4O2/c20-15-19(11-4-8-12-6-2-1-3-7-12)14(18-21-15)13-16-9-5-10-17-13/h1-3,5-7,9-10H,4,8,11H2
InChIKeyQWVNLNDFAQCOTJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.93
Rot. Bonds5

About 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one

4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 51102980) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID51102980
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ncccn2)n1CCCc1ccccc1
InChIInChI=1S/C15H14N4O2/c20-15-19(11-4-8-12-6-2-1-3-7-12)14(18-21-15)13-16-9-5-10-17-13/h1-3,5-7,9-10H,4,8,11H2
InChIKeyQWVNLNDFAQCOTJ-UHFFFAOYSA-N
XLogP1.93
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one (CID 51102980) is 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ncccn2)n1CCCc1ccccc1.
What is the InChIKey of 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is QWVNLNDFAQCOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-15-19(11-4-8-12-6-2-1-3-7-12)14(18-21-15)13-16-9-5-10-17-13/h1-3,5-7,9-10H,4,8,11H2.
What are the key properties of 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one?
4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 282.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropyl)-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 51102980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).