5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine

C19H21N5O — CID 95730203

IUPAC5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
SMILESc1ccc(CCc2noc(-c3ccc(N[C@@H]4CCNC4)nc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-14(5-3-1)6-8-18-23-19(25-24-18)15-7-9-17(21-12-15)22-16-10-11-20-13-16/h1-5,7,9,12,16,20H,6,8,10-11,13H2,(H,21,22)/t16-/m1/s1
InChIKeyCABJKGSIVIURNX-MRXNPFEDSA-N
MW335.41 g/mol
LogP2.69
Rot. Bonds6

About 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine

5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine (PubChem CID 95730203) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
PubChem CID95730203
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
SMILESc1ccc(CCc2noc(-c3ccc(N[C@@H]4CCNC4)nc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-4-14(5-3-1)6-8-18-23-19(25-24-18)15-7-9-17(21-12-15)22-16-10-11-20-13-16/h1-5,7,9,12,16,20H,6,8,10-11,13H2,(H,21,22)/t16-/m1/s1
InChIKeyCABJKGSIVIURNX-MRXNPFEDSA-N
XLogP2.69
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine (CID 95730203) is 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine is c1ccc(CCc2noc(-c3ccc(N[C@@H]4CCNC4)nc3)n2)cc1.
What is the InChIKey of 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is CABJKGSIVIURNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-4-14(5-3-1)6-8-18-23-19(25-24-18)15-7-9-17(21-12-15)22-16-10-11-20-13-16/h1-5,7,9,12,16,20H,6,8,10-11,13H2,(H,21,22)/t16-/m1/s1.
What are the key properties of 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine?
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 95730203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).