N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine

C17H16ClN5O — CID 53311660

IUPACN-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine
SMILESClc1ccc(Nc2cccc(-c3cnc(N4CCCC4)o3)n2)nc1
InChIInChI=1S/C17H16ClN5O/c18-12-6-7-15(19-10-12)22-16-5-3-4-13(21-16)14-11-20-17(24-14)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9H2,(H,19,21,22)
InChIKeyXYQVLHZBBWDULZ-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.13
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine

N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine (PubChem CID 53311660) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine
PubChem CID53311660
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine
SMILESClc1ccc(Nc2cccc(-c3cnc(N4CCCC4)o3)n2)nc1
InChIInChI=1S/C17H16ClN5O/c18-12-6-7-15(19-10-12)22-16-5-3-4-13(21-16)14-11-20-17(24-14)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9H2,(H,19,21,22)
InChIKeyXYQVLHZBBWDULZ-UHFFFAOYSA-N
XLogP4.13
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine (CID 53311660) is N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine is Clc1ccc(Nc2cccc(-c3cnc(N4CCCC4)o3)n2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine?
The InChIKey is XYQVLHZBBWDULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-12-6-7-15(19-10-12)22-16-5-3-4-13(21-16)14-11-20-17(24-14)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9H2,(H,19,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine?
N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine has a molecular weight of 341.80 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-(2-pyrrolidin-1-yl-1,3-oxazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 53311660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).