1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine

C21H25N5O — CID 119139036

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccc(N2CCCC2)nc1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C21H25N5O/c1-16(21-24-19(25-27-21)13-17-7-3-2-4-8-17)22-14-18-9-10-20(23-15-18)26-11-5-6-12-26/h2-4,7-10,15-16,22H,5-6,11-14H2,1H3
InChIKeyMQFZXBNWBJOFRZ-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.51
Rot. Bonds7

About 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine

1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine (PubChem CID 119139036) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
PubChem CID119139036
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine
SMILESCC(NCc1ccc(N2CCCC2)nc1)c1nc(Cc2ccccc2)no1
InChIInChI=1S/C21H25N5O/c1-16(21-24-19(25-27-21)13-17-7-3-2-4-8-17)22-14-18-9-10-20(23-15-18)26-11-5-6-12-26/h2-4,7-10,15-16,22H,5-6,11-14H2,1H3
InChIKeyMQFZXBNWBJOFRZ-UHFFFAOYSA-N
XLogP3.51
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine (CID 119139036) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine is CC(NCc1ccc(N2CCCC2)nc1)c1nc(Cc2ccccc2)no1.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine?
The InChIKey is MQFZXBNWBJOFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-16(21-24-19(25-27-21)13-17-7-3-2-4-8-17)22-14-18-9-10-20(23-15-18)26-11-5-6-12-26/h2-4,7-10,15-16,22H,5-6,11-14H2,1H3.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine has a molecular weight of 363.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 119139036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).