N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine

C18H19ClN6O — CID 71245697

IUPACN-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CC1
InChIInChI=1S/C18H19ClN6O/c1-24-7-9-25(10-8-24)18-21-12-15(26-18)14-3-2-4-17(22-14)23-16-6-5-13(19)11-20-16/h2-6,11-12H,7-10H2,1H3,(H,20,22,23)
InChIKeyDSJLXTMHDLLEGO-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.28
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine

N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine (PubChem CID 71245697) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
PubChem CID71245697
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine
SMILESCN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CC1
InChIInChI=1S/C18H19ClN6O/c1-24-7-9-25(10-8-24)18-21-12-15(26-18)14-3-2-4-17(22-14)23-16-6-5-13(19)11-20-16/h2-6,11-12H,7-10H2,1H3,(H,20,22,23)
InChIKeyDSJLXTMHDLLEGO-UHFFFAOYSA-N
XLogP3.28
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine (CID 71245697) is N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine is CN1CCN(c2ncc(-c3cccc(Nc4ccc(Cl)cn4)n3)o2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
The InChIKey is DSJLXTMHDLLEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-24-7-9-25(10-8-24)18-21-12-15(26-18)14-3-2-4-17(22-14)23-16-6-5-13(19)11-20-16/h2-6,11-12H,7-10H2,1H3,(H,20,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine?
N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine has a molecular weight of 370.84 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 71245697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).