5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

C19H21N5O — CID 90273387

IUPAC5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(C4CCNCC4)o3)c2)cc1
InChIInChI=1S/C19H21N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)22-11-15)19-24-23-18(25-19)14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9H2,1H3,(H2,20,22)
InChIKeyKRZJZXBHOZHVPV-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.16
Rot. Bonds3

About 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine

5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (PubChem CID 90273387) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
PubChem CID90273387
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
SMILESCc1ccc(-c2cnc(N)c(-c3nnc(C4CCNCC4)o3)c2)cc1
InChIInChI=1S/C19H21N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)22-11-15)19-24-23-18(25-19)14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9H2,1H3,(H2,20,22)
InChIKeyKRZJZXBHOZHVPV-UHFFFAOYSA-N
XLogP3.16
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The IUPAC name of 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine (CID 90273387) is 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The canonical SMILES for 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is Cc1ccc(-c2cnc(N)c(-c3nnc(C4CCNCC4)o3)c2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
The InChIKey is KRZJZXBHOZHVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-2-4-13(5-3-12)15-10-16(17(20)22-11-15)19-24-23-18(25-19)14-6-8-21-9-7-14/h2-5,10-11,14,21H,6-9H2,1H3,(H2,20,22).
What are the key properties of 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine?
5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-(5-piperidin-4-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 90273387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).