3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

C19H20N4O2 — CID 71939036

IUPAC3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C19H20N4O2/c24-18(23-13-5-9-16(23)15-8-4-12-20-15)11-10-17-21-22-19(25-17)14-6-2-1-3-7-14/h1-4,6-8,12,16,20H,5,9-11,13H2
InChIKeyDVXMIRCMQFLWJV-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.36
Rot. Bonds5

About 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 71939036) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID71939036
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccc[nH]1
InChIInChI=1S/C19H20N4O2/c24-18(23-13-5-9-16(23)15-8-4-12-20-15)11-10-17-21-22-19(25-17)14-6-2-1-3-7-14/h1-4,6-8,12,16,20H,5,9-11,13H2
InChIKeyDVXMIRCMQFLWJV-UHFFFAOYSA-N
XLogP3.36
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 71939036) is 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is O=C(CCc1nnc(-c2ccccc2)o1)N1CCCC1c1ccc[nH]1.
What is the InChIKey of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is DVXMIRCMQFLWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18(23-13-5-9-16(23)15-8-4-12-20-15)11-10-17-21-22-19(25-17)14-6-2-1-3-7-14/h1-4,6-8,12,16,20H,5,9-11,13H2.
What are the key properties of 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 336.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 71939036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).