N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine

C24H30N4O — CID 86904720

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine
SMILESCCN(Cc1noc(Cc2ccccc2)n1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H30N4O/c1-3-27(18-23-25-24(29-26-23)16-20-10-6-4-7-11-20)22-14-15-28(17-22)19(2)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3
InChIKeyFAXQRKGHXUKQGI-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.32
Rot. Bonds8

About N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine (PubChem CID 86904720) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine
PubChem CID86904720
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine
SMILESCCN(Cc1noc(Cc2ccccc2)n1)C1CCN(C(C)c2ccccc2)C1
InChIInChI=1S/C24H30N4O/c1-3-27(18-23-25-24(29-26-23)16-20-10-6-4-7-11-20)22-14-15-28(17-22)19(2)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3
InChIKeyFAXQRKGHXUKQGI-UHFFFAOYSA-N
XLogP4.32
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine (CID 86904720) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine is CCN(Cc1noc(Cc2ccccc2)n1)C1CCN(C(C)c2ccccc2)C1.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
The InChIKey is FAXQRKGHXUKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-3-27(18-23-25-24(29-26-23)16-20-10-6-4-7-11-20)22-14-15-28(17-22)19(2)21-12-8-5-9-13-21/h4-13,19,22H,3,14-18H2,1-2H3.
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine has a molecular weight of 390.53 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 86904720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).