2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one

C19H20ClN5O3 — CID 146272718

IUPAC2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one
SMILESCc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2CCOC(C)C2)cc1=O
InChIInChI=1S/C19H20ClN5O3/c1-12-10-24(5-6-27-12)15-7-18(26)25(22-9-15)11-16-13(2)28-23-19(16)14-3-4-17(20)21-8-14/h3-4,7-9,12H,5-6,10-11H2,1-2H3
InChIKeyYTQQFFKSOBATSM-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.53
Rot. Bonds4

About 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one

2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one (PubChem CID 146272718) has the molecular formula C19H20ClN5O3 and a molecular weight of 401.85 g/mol. Its IUPAC name is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one
PubChem CID146272718
Molecular FormulaC19H20ClN5O3
Molecular Weight401.85 g/mol
Exact Mass401.13
IUPAC Name2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one
SMILESCc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2CCOC(C)C2)cc1=O
InChIInChI=1S/C19H20ClN5O3/c1-12-10-24(5-6-27-12)15-7-18(26)25(22-9-15)11-16-13(2)28-23-19(16)14-3-4-17(20)21-8-14/h3-4,7-9,12H,5-6,10-11H2,1-2H3
InChIKeyYTQQFFKSOBATSM-UHFFFAOYSA-N
XLogP2.53
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one (CID 146272718) is 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one is Cc1onc(-c2ccc(Cl)nc2)c1Cn1ncc(N2CCOC(C)C2)cc1=O.
What is the InChIKey of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is YTQQFFKSOBATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3/c1-12-10-24(5-6-27-12)15-7-18(26)25(22-9-15)11-16-13(2)28-23-19(16)14-3-4-17(20)21-8-14/h3-4,7-9,12H,5-6,10-11H2,1-2H3.
What are the key properties of 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one?
2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 401.85 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-chloro-3-pyridinyl)-5-methyl-1,2-oxazol-4-yl]methyl]-5-(2-methylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 146272718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).