2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole

C16H15N5O — CID 75615908

IUPAC2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCN(c4ncccn4)C3)o2)cc1
InChIInChI=1S/C16H15N5O/c1-2-5-12(6-3-1)14-19-20-15(22-14)13-7-10-21(11-13)16-17-8-4-9-18-16/h1-6,8-9,13H,7,10-11H2
InChIKeyHESXSLIEKSNDLI-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.52
Rot. Bonds3

About 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole

2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole (PubChem CID 75615908) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
PubChem CID75615908
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(C3CCN(c4ncccn4)C3)o2)cc1
InChIInChI=1S/C16H15N5O/c1-2-5-12(6-3-1)14-19-20-15(22-14)13-7-10-21(11-13)16-17-8-4-9-18-16/h1-6,8-9,13H,7,10-11H2
InChIKeyHESXSLIEKSNDLI-UHFFFAOYSA-N
XLogP2.52
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-1-cyclobutylpyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137198
[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75615733
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-cyclopentyl-5-phenyl-1,3,4-oxadiazole
CID 83382259
2-[(4-fluorophenoxy)methyl]-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole
CID 75615927
2-[(4-fluorophenoxy)methyl]-5-[(3S)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137939
4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615193
phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
2-phenyl-5-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615219
2-methoxy-1-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 51137734
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
3-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3314011

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole (CID 75615908) is 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole is c1ccc(-c2nnc(C3CCN(c4ncccn4)C3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole?
The InChIKey is HESXSLIEKSNDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-2-5-12(6-3-1)14-19-20-15(22-14)13-7-10-21(11-13)16-17-8-4-9-18-16/h1-6,8-9,13H,7,10-11H2.
What are the key properties of 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole?
2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole has a molecular weight of 293.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 75615908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).