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

C21H25N5O2 — CID 75131501

IUPAC5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
SMILESCOc1ccccc1CN1CCCC1c1nc(-c2ccc(N(C)C)nc2)no1
InChIInChI=1S/C21H25N5O2/c1-25(2)19-11-10-15(13-22-19)20-23-21(28-24-20)17-8-6-12-26(17)14-16-7-4-5-9-18(16)27-3/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3
InChIKeyWRQFNSHQSBXURH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds6

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

5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 75131501) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
PubChem CID75131501
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine
SMILESCOc1ccccc1CN1CCCC1c1nc(-c2ccc(N(C)C)nc2)no1
InChIInChI=1S/C21H25N5O2/c1-25(2)19-11-10-15(13-22-19)20-23-21(28-24-20)17-8-6-12-26(17)14-16-7-4-5-9-18(16)27-3/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3
InChIKeyWRQFNSHQSBXURH-UHFFFAOYSA-N
XLogP3.54
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine with MolForge

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Related Compounds

3-(5-fluoro-2-pyridinyl)-5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75614930
5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131384
4-methoxy-N-[5-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
CID 51136892
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
N-[5-[5-[(2R)-1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 162799175
3-(6-pyridin-4-yl-3-pyridinyl)-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 51136965
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131201
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125
5-(1-benzylpyrrolidin-2-yl)-3-(6-cyclohexyloxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131269
2-methoxy-N-[5-[5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]acetamide
CID 75131329
5-methoxy-2-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]pyran-4-one
CID 70764552

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine (CID 75131501) is 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine is COc1ccccc1CN1CCCC1c1nc(-c2ccc(N(C)C)nc2)no1.
What is the InChIKey of 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is WRQFNSHQSBXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-25(2)19-11-10-15(13-22-19)20-23-21(28-24-20)17-8-6-12-26(17)14-16-7-4-5-9-18(16)27-3/h4-5,7,9-11,13,17H,6,8,12,14H2,1-3H3.
What are the key properties of 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine?
5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 379.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[(2-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 75131501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).