2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide

C19H22N4O3 — CID 53056533

IUPAC2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide
SMILESCCC(C(=O)N(CC)c1ccccc1)n1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C19H22N4O3/c1-5-15(18(24)22(6-2)14-10-8-7-9-11-14)23-19(25)17-16(12(3)20-23)13(4)26-21-17/h7-11,15H,5-6H2,1-4H3
InChIKeyXRUOGFWJHRUMLY-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.01
Rot. Bonds5

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

2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide (PubChem CID 53056533) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide
PubChem CID53056533
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide
SMILESCCC(C(=O)N(CC)c1ccccc1)n1nc(C)c2c(C)onc2c1=O
InChIInChI=1S/C19H22N4O3/c1-5-15(18(24)22(6-2)14-10-8-7-9-11-14)23-19(25)17-16(12(3)20-23)13(4)26-21-17/h7-11,15H,5-6H2,1-4H3
InChIKeyXRUOGFWJHRUMLY-UHFFFAOYSA-N
XLogP3.01
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide with MolForge

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Related Compounds

(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-(3-methylphenyl)butanamide
CID 95064934
(2R)-N-(2,6-diethylphenyl)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)butanamide
CID 95064923
(2R)-2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(4-fluorophenyl)butanamide
CID 95064912
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)butanamide
CID 53056570
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2,5-dimethylphenyl)butanamide
CID 53056516
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 53056528
(2S)-N-benzyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-propan-2-ylbutanamide
CID 95064775
N-ethyl-2-[4-(3-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenylacetamide
CID 53056339
2-[4-(4-methoxyphenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]-N-phenyl-N-prop-2-enylpropanamide
CID 53056451
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(2-phenylethyl)acetamide
CID 53056505
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-(3-phenylpropyl)acetamide
CID 53056256

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide?
The IUPAC name of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide (CID 53056533) is 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide.
What is the SMILES notation for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide?
The canonical SMILES for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide is CCC(C(=O)N(CC)c1ccccc1)n1nc(C)c2c(C)onc2c1=O.
What is the InChIKey of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide?
The InChIKey is XRUOGFWJHRUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-5-15(18(24)22(6-2)14-10-8-7-9-11-14)23-19(25)17-16(12(3)20-23)13(4)26-21-17/h7-11,15H,5-6H2,1-4H3.
What are the key properties of 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide?
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide has a molecular weight of 354.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-ethyl-N-phenylbutanamide is sourced from PubChem (CID 53056533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).