N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine

C19H26N4O2 — CID 71928239

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CCN(CCOc2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-22(14-18-20-21-19(25-18)15-7-8-15)16-9-10-23(13-16)11-12-24-17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyZKLHKUCQACEGDC-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.53
Rot. Bonds8

About N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine (PubChem CID 71928239) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
PubChem CID71928239
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
SMILESCN(Cc1nnc(C2CC2)o1)C1CCN(CCOc2ccccc2)C1
InChIInChI=1S/C19H26N4O2/c1-22(14-18-20-21-19(25-18)15-7-8-15)16-9-10-23(13-16)11-12-24-17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3
InChIKeyZKLHKUCQACEGDC-UHFFFAOYSA-N
XLogP2.53
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine
CID 97061477
(3S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-thiophen-2-ylethyl)pyrrolidin-3-amine
CID 96998564
(3S)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 96512063
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 97028097
(3S)-1-[3-(4-fluorophenoxy)propyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 97073405
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
CID 56802392
(3R)-3-fluoro-1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidine
CID 178065004
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 97318188
1-[2-(4-aminophenoxy)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166050
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166233

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine (CID 71928239) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine is CN(Cc1nnc(C2CC2)o1)C1CCN(CCOc2ccccc2)C1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
The InChIKey is ZKLHKUCQACEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(14-18-20-21-19(25-18)15-7-8-15)16-9-10-23(13-16)11-12-24-17-5-3-2-4-6-17/h2-6,15-16H,7-14H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine has a molecular weight of 342.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-(2-phenoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 71928239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).