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

C16H22N4O — CID 51137304

IUPAC2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC(C)CCN1CC[C@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C16H22N4O/c1-12(2)5-9-20-10-6-14(11-20)16-19-18-15(21-16)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyFRXPXTQWMWHWAD-AWEZNQCLSA-N
MW286.38 g/mol
LogP2.97
Rot. Bonds5

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

2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 51137304) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID51137304
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC(C)CCN1CC[C@H](c2nnc(-c3ccncc3)o2)C1
InChIInChI=1S/C16H22N4O/c1-12(2)5-9-20-10-6-14(11-20)16-19-18-15(21-16)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1
InChIKeyFRXPXTQWMWHWAD-AWEZNQCLSA-N
XLogP2.97
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

2-[(3S)-1-cyclohexylpyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 51137295
pyridin-4-yl-[(3S)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137853
2-[(3S)-1-benzylpiperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849713
2-cyclopentyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 53017492
2-cyclohexyl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 863679
2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 51137228
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615413
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 110243014
2-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
CID 95849716
2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 75615410
2-[[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]phenol
CID 75615431
2-(4-chlorophenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137247

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 51137304) is 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is CC(C)CCN1CC[C@H](c2nnc(-c3ccncc3)o2)C1.
What is the InChIKey of 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is FRXPXTQWMWHWAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(2)5-9-20-10-6-14(11-20)16-19-18-15(21-16)13-3-7-17-8-4-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 286.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 51137304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).