(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine

C19H21N5O — CID 120761263

IUPAC(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1nc(-c2cccnc2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-13(19-22-18(23-25-19)15-8-5-9-21-10-15)24-11-16(17(20)12-24)14-6-3-2-4-7-14/h2-10,13,16-17H,11-12,20H2,1H3/t13?,16-,17+/m0/s1
InChIKeyZVEXFWPJHQGXJV-ZMKYACIDSA-N
MW335.41 g/mol
LogP2.62
Rot. Bonds4

About (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine

(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 120761263) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
PubChem CID120761263
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(c1nc(-c2cccnc2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C19H21N5O/c1-13(19-22-18(23-25-19)15-8-5-9-21-10-15)24-11-16(17(20)12-24)14-6-3-2-4-7-14/h2-10,13,16-17H,11-12,20H2,1H3/t13?,16-,17+/m0/s1
InChIKeyZVEXFWPJHQGXJV-ZMKYACIDSA-N
XLogP2.62
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine (CID 120761263) is (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine is CC(c1nc(-c2cccnc2)no1)N1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is ZVEXFWPJHQGXJV-ZMKYACIDSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13(19-22-18(23-25-19)15-8-5-9-21-10-15)24-11-16(17(20)12-24)14-6-3-2-4-7-14/h2-10,13,16-17H,11-12,20H2,1H3/t13?,16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine?
(3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 335.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-phenyl-1-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 120761263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).