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

C21H23N3O — CID 51137207

IUPAC2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(CCCN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C21H23N3O/c1-3-8-17(9-4-1)10-7-14-24-15-13-19(16-24)21-23-22-20(25-21)18-11-5-2-6-12-18/h1-6,8-9,11-12,19H,7,10,13-16H2/t19-/m0/s1
InChIKeyIYNNDDMHNSLUNS-IBGZPJMESA-N
MW333.44 g/mol
LogP4.16
Rot. Bonds6

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

2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137207) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137207
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESc1ccc(CCCN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1
InChIInChI=1S/C21H23N3O/c1-3-8-17(9-4-1)10-7-14-24-15-13-19(16-24)21-23-22-20(25-21)18-11-5-2-6-12-18/h1-6,8-9,11-12,19H,7,10,13-16H2/t19-/m0/s1
InChIKeyIYNNDDMHNSLUNS-IBGZPJMESA-N
XLogP4.16
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-Oxadiazole, 2-5-diphenyl-
CID 12888
2-Benzyl-5-phenyl-1,3,4-oxadiazole
CID 800230
1-Benzyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine
CID 3959338
1-[3-(5-Biphenyl-4-yl-1,3,4-oxadiazol-2-yl)propanoyl]piperidine
CID 16187288
N-(3-cyclopentylpropyl)-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16188925
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192128
Azepan-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 661182
2-(4-Methylphenyl)-5-(2-phenylethyl)-1,3,4-oxadiazole
CID 833651
2-[2-(4-Methylphenyl)vinyl]-5-phenyl-1,3,4-oxadiazole
CID 6089462
2-(4-Methylphenyl)-5-[2-(4-methylphenyl)vinyl]-1,3,4-oxadiazole
CID 6247698
N-(1-phenylethyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 16192092
1-(4-fluorophenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 17392931

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137207) is 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is c1ccc(CCCN2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1.
What is the InChIKey of 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is IYNNDDMHNSLUNS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-8-17(9-4-1)10-7-14-24-15-13-19(16-24)21-23-22-20(25-21)18-11-5-2-6-12-18/h1-6,8-9,11-12,19H,7,10,13-16H2/t19-/m0/s1.
What are the key properties of 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 333.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[(3S)-1-(3-phenylpropyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).