(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine

C20H23N5O — CID 95729450

IUPAC(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C20H23N5O/c21-17-11-12-25(14-17)19-10-9-16(13-22-19)20-23-18(24-26-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,17H,4,7-8,11-12,14,21H2/t17-/m0/s1
InChIKeyVPQRESUXZOXIBE-KRWDZBQOSA-N
MW349.44 g/mol
LogP2.84
Rot. Bonds6

About (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine

(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine (PubChem CID 95729450) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
PubChem CID95729450
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1
InChIInChI=1S/C20H23N5O/c21-17-11-12-25(14-17)19-10-9-16(13-22-19)20-23-18(24-26-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,17H,4,7-8,11-12,14,21H2/t17-/m0/s1
InChIKeyVPQRESUXZOXIBE-KRWDZBQOSA-N
XLogP2.84
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine with MolForge

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Related Compounds

5-[6-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(3-phenylpropyl)-1,2,4-oxadiazole
CID 95896088
1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-ol
CID 70753740
N,N-dimethyl-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine
CID 45191025
1-[5-(3-phenyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769882
[(3R)-1-[5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-yl]methanol
CID 42458820
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
4-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-2-one
CID 26402764
1-[5-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769891
3-benzyl-5-[6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45207093
1-[5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56769900
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 56686570
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56769872

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine (CID 95729450) is (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine is N[C@H]1CCN(c2ccc(-c3nc(CCCc4ccccc4)no3)cn2)C1.
What is the InChIKey of (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
The InChIKey is VPQRESUXZOXIBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O/c21-17-11-12-25(14-17)19-10-9-16(13-22-19)20-23-18(24-26-20)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-10,13,17H,4,7-8,11-12,14,21H2/t17-/m0/s1.
What are the key properties of (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine?
(3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine has a molecular weight of 349.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 95729450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).