(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine

C21H24N4O2 — CID 72912750

IUPAC(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
SMILESCOc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-24(2)19-14-25(13-18(19)15-9-11-17(26-3)12-10-15)21-22-20(23-27-21)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyZVLNHXSJGCHGGR-RBUKOAKNSA-N
MW364.45 g/mol
LogP3.28
Rot. Bonds5

About (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine

(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine (PubChem CID 72912750) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
PubChem CID72912750
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
SMILESCOc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@H]2N(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-24(2)19-14-25(13-18(19)15-9-11-17(26-3)12-10-15)21-22-20(23-27-21)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1
InChIKeyZVLNHXSJGCHGGR-RBUKOAKNSA-N
XLogP3.28
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3S,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 171708283
(3S,4S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063598
5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
(3S,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70706284
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
3-(4-methoxyphenyl)-5-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)-1,2,4-oxadiazole
CID 167823383
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 95557093
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine (CID 72912750) is (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine is COc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)C[C@H]2N(C)C)cc1.
What is the InChIKey of (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The InChIKey is ZVLNHXSJGCHGGR-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24(2)19-14-25(13-18(19)15-9-11-17(26-3)12-10-15)21-22-20(23-27-21)16-7-5-4-6-8-16/h4-12,18-19H,13-14H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
(3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine has a molecular weight of 364.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-methoxyphenyl)-N,N-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 72912750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).