2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

C20H22N4O — CID 51137335

IUPAC2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(CCCN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-2-6-16(7-3-1)8-5-12-24-13-10-18(15-24)20-23-22-19(25-20)17-9-4-11-21-14-17/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2/t18-/m0/s1
InChIKeyMVAOSLBKWSQSED-SFHVURJKSA-N
MW334.42 g/mol
LogP3.55
Rot. Bonds6

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

2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 51137335) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID51137335
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESc1ccc(CCCN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1
InChIInChI=1S/C20H22N4O/c1-2-6-16(7-3-1)8-5-12-24-13-10-18(15-24)20-23-22-19(25-20)17-9-4-11-21-14-17/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2/t18-/m0/s1
InChIKeyMVAOSLBKWSQSED-SFHVURJKSA-N
XLogP3.55
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 51137335) is 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is c1ccc(CCCN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is MVAOSLBKWSQSED-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-6-16(7-3-1)8-5-12-24-13-10-18(15-24)20-23-22-19(25-20)17-9-4-11-21-14-17/h1-4,6-7,9,11,14,18H,5,8,10,12-13,15H2/t18-/m0/s1.
What are the key properties of 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).