(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide

C18H20N4O5 — CID 95064964

IUPAC(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(C)c3c(C)onc3c2=O)cc1OC
InChIInChI=1S/C18H20N4O5/c1-9-15-11(3)27-21-16(15)18(24)22(20-9)10(2)17(23)19-12-6-7-13(25-4)14(8-12)26-5/h6-8,10H,1-5H3,(H,19,23)/t10-/m1/s1
InChIKeyWBSGDJSBUNXEOB-SNVBAGLBSA-N
MW372.38 g/mol
LogP2.22
Rot. Bonds5

About (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide

(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide (PubChem CID 95064964) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
PubChem CID95064964
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)n2nc(C)c3c(C)onc3c2=O)cc1OC
InChIInChI=1S/C18H20N4O5/c1-9-15-11(3)27-21-16(15)18(24)22(20-9)10(2)17(23)19-12-6-7-13(25-4)14(8-12)26-5/h6-8,10H,1-5H3,(H,19,23)/t10-/m1/s1
InChIKeyWBSGDJSBUNXEOB-SNVBAGLBSA-N
XLogP2.22
TPSA108.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The IUPAC name of (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide (CID 95064964) is (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide.
What is the SMILES notation for (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The canonical SMILES for (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide is COc1ccc(NC(=O)[C@@H](C)n2nc(C)c3c(C)onc3c2=O)cc1OC.
What is the InChIKey of (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
The InChIKey is WBSGDJSBUNXEOB-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-9-15-11(3)27-21-16(15)18(24)22(20-9)10(2)17(23)19-12-6-7-13(25-4)14(8-12)26-5/h6-8,10H,1-5H3,(H,19,23)/t10-/m1/s1.
What are the key properties of (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide?
(2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide has a molecular weight of 372.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)propanamide is sourced from PubChem (CID 95064964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).