pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

C17H15N5O2 — CID 51137853

IUPACpyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C17H15N5O2/c23-17(13-3-8-19-9-4-13)22-10-5-14(11-22)16-21-20-15(24-16)12-1-6-18-7-2-12/h1-4,6-9,14H,5,10-11H2/t14-/m0/s1
InChIKeyNIMHOVWEMGSVTC-AWEZNQCLSA-N
MW321.34 g/mol
LogP2.16
Rot. Bonds3

About pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone

pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 51137853) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID51137853
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Namepyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C17H15N5O2/c23-17(13-3-8-19-9-4-13)22-10-5-14(11-22)16-21-20-15(24-16)12-1-6-18-7-2-12/h1-4,6-9,14H,5,10-11H2/t14-/m0/s1
InChIKeyNIMHOVWEMGSVTC-AWEZNQCLSA-N
XLogP2.16
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[(3S)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 92897703
[3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75615733
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
pyrazin-2-yl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137843
(4-fluorophenyl)-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 132654703
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 121069334
2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
phenyl-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121114576
[(3R)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99963542
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
furan-3-yl-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 46392997
[4-(dimethylamino)phenyl]-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 50835044

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone (CID 51137853) is pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is O=C(c1ccncc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1.
What is the InChIKey of pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NIMHOVWEMGSVTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17(13-3-8-19-9-4-13)22-10-5-14(11-22)16-21-20-15(24-16)12-1-6-18-7-2-12/h1-4,6-9,14H,5,10-11H2/t14-/m0/s1.
What are the key properties of pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone?
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 321.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).