4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one

C17H21N3O3 — CID 85330843

IUPAC4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(C=Cc2ccccc2)n1CC(O)CN1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15(12-19-10-4-5-11-19)13-20-16(18-23-17(20)22)9-8-14-6-2-1-3-7-14/h1-3,6-9,15,21H,4-5,10-13H2
InChIKeyVQEKVNWOPDCNAK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.46
Rot. Bonds6

About 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one

4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one (PubChem CID 85330843) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one
PubChem CID85330843
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(C=Cc2ccccc2)n1CC(O)CN1CCCC1
InChIInChI=1S/C17H21N3O3/c21-15(12-19-10-4-5-11-19)13-20-16(18-23-17(20)22)9-8-14-6-2-1-3-7-14/h1-3,6-9,15,21H,4-5,10-13H2
InChIKeyVQEKVNWOPDCNAK-UHFFFAOYSA-N
XLogP1.46
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one (CID 85330843) is 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one is O=c1onc(C=Cc2ccccc2)n1CC(O)CN1CCCC1.
What is the InChIKey of 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is VQEKVNWOPDCNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-15(12-19-10-4-5-11-19)13-20-16(18-23-17(20)22)9-8-14-6-2-1-3-7-14/h1-3,6-9,15,21H,4-5,10-13H2.
What are the key properties of 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one?
4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 315.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-3-(2-phenylethenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 85330843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).