7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

C12H9N3O3 — CID 121000494

IUPAC7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1n[nH]c(=O)c2c(-c3ccccc3)noc12
InChIInChI=1S/C12H9N3O3/c1-17-12-10-8(11(16)13-14-12)9(15-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)
InChIKeyFNEPNOZNGUKCTP-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.59
Rot. Bonds2

About 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one

7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 121000494) has the molecular formula C12H9N3O3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID121000494
Molecular FormulaC12H9N3O3
Molecular Weight243.22 g/mol
Exact Mass243.06
IUPAC Name7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCOc1n[nH]c(=O)c2c(-c3ccccc3)noc12
InChIInChI=1S/C12H9N3O3/c1-17-12-10-8(11(16)13-14-12)9(15-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16)
InChIKeyFNEPNOZNGUKCTP-UHFFFAOYSA-N
XLogP1.59
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 121223055
3-phenyl-4H-[1,2]oxazolo[4,5-d]pyrimidine-5,7-dione
CID 134908518
3,4-diphenyl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 54613569
7-(4-fluorophenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126665990
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
CID 59650549
4-phenyl-2H-phthalazin-1-one;hydrate
CID 51057017
3-methoxy-4-phenyl-1H-pyrazol-5-amine
CID 138488838
5-methyl-3,4-diphenyl-1H-pyridazin-6-one
CID 13078220
5-methyl-3,6-diphenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
CID 4250909
7-(2,4-dimethoxyphenyl)-3-methyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666037
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
CID 878649

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 121000494) is 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is COc1n[nH]c(=O)c2c(-c3ccccc3)noc12.
What is the InChIKey of 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is FNEPNOZNGUKCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3/c1-17-12-10-8(11(16)13-14-12)9(15-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,16).
What are the key properties of 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one?
7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 243.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-5H-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 121000494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).