[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine

C18H26N4O — CID 120758297

IUPAC[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCC(C)Cc1noc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C18H26N4O/c1-13(2)8-17-20-18(23-21-17)12-22-10-15(9-19)16(11-22)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3/t15-,16+/m1/s1
InChIKeyOEMFHNMGGWCGJA-CVEARBPZSA-N
MW314.43 g/mol
LogP2.44
Rot. Bonds6

About [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120758297) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120758297
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCC(C)Cc1noc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)n1
InChIInChI=1S/C18H26N4O/c1-13(2)8-17-20-18(23-21-17)12-22-10-15(9-19)16(11-22)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3/t15-,16+/m1/s1
InChIKeyOEMFHNMGGWCGJA-CVEARBPZSA-N
XLogP2.44
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-4-phenyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758554
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
[(3R,4R)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760178
[(3R,4R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758486
[(3R,4R)-4-phenyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120967267
(3S,4R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120761572
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945
[(3R,4R)-1-[(4-methyl-2-propyl-1,3-oxazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 138056631
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684293
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
[(3R,4R)-4-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120759105
[(3R,4R)-1-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120759955

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120758297) is [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine is CC(C)Cc1noc(CN2C[C@@H](CN)[C@H](c3ccccc3)C2)n1.
What is the InChIKey of [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is OEMFHNMGGWCGJA-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)8-17-20-18(23-21-17)12-22-10-15(9-19)16(11-22)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12,19H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 314.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120758297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).