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

C15H20N4O — CID 51137575

IUPAC2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc([C@H]2CCN(Cc3ccncc3)C2)o1
InChIInChI=1S/C15H20N4O/c1-2-3-14-17-18-15(20-14)13-6-9-19(11-13)10-12-4-7-16-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1
InChIKeyLWQDQKVZROANOM-ZDUSSCGKSA-N
MW272.35 g/mol
LogP2.41
Rot. Bonds5

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

2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137575) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137575
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCCCc1nnc([C@H]2CCN(Cc3ccncc3)C2)o1
InChIInChI=1S/C15H20N4O/c1-2-3-14-17-18-15(20-14)13-6-9-19(11-13)10-12-4-7-16-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1
InChIKeyLWQDQKVZROANOM-ZDUSSCGKSA-N
XLogP2.41
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
4-[[3-(5-benzyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]benzonitrile
CID 75615380
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
(1S,3aR,7aR)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-4-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine
CID 97476330
(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 39225703
2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
4-(1-benzylpyrrolidin-3-yl)pyridine
CID 11085844
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N,N-dimethyl-4-[[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]aniline
CID 75615327
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849680

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137575) is 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is CCCc1nnc([C@H]2CCN(Cc3ccncc3)C2)o1.
What is the InChIKey of 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is LWQDQKVZROANOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-3-14-17-18-15(20-14)13-6-9-19(11-13)10-12-4-7-16-8-5-12/h4-5,7-8,13H,2-3,6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[(3S)-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).