5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one

C16H13Cl2N3O4 — CID 146402576

IUPAC5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(-c3cc(=O)[nH]o3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H13Cl2N3O4/c1-7(2)9-5-14(19-20-16(9)23)24-15-10(17)3-8(4-11(15)18)12-6-13(22)21-25-12/h3-7H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJACSJOLNCNGOEW-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.94
Rot. Bonds4

About 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one

5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one (PubChem CID 146402576) has the molecular formula C16H13Cl2N3O4 and a molecular weight of 382.20 g/mol. Its IUPAC name is 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
PubChem CID146402576
Molecular FormulaC16H13Cl2N3O4
Molecular Weight382.20 g/mol
Exact Mass381.03
IUPAC Name5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one
SMILESCC(C)c1cc(Oc2c(Cl)cc(-c3cc(=O)[nH]o3)cc2Cl)n[nH]c1=O
InChIInChI=1S/C16H13Cl2N3O4/c1-7(2)9-5-14(19-20-16(9)23)24-15-10(17)3-8(4-11(15)18)12-6-13(22)21-25-12/h3-7H,1-2H3,(H,20,23)(H,21,22)
InChIKeyJACSJOLNCNGOEW-UHFFFAOYSA-N
XLogP3.94
TPSA100.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one with MolForge

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Related Compounds

3-(2,6-dichlorophenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 141161888
[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]boronic acid
CID 155637453
3-(4-amino-2-chloro-6-hydroxyphenoxy)-5-propan-2-yl-1H-pyridazin-6-one
CID 177323780
2-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]acetic acid
CID 15981207
3-[2,6-dichloro-4-(5,6-dimethoxy-3-pyridinyl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
CID 167126243
3-[2,6-dichloro-4-(1-methyl-2H-pyridin-2-yl)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
CID 175803457
3-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]butanoic acid
CID 155296007
2-[3-chloro-5-methyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-3-[3,5-dimethyl-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]butanedioic acid
CID 91399578
3-(4-amino-2,6-dichlorophenoxy)-5-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-1H-pyridazin-6-one
CID 162467561
3-[[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]anilino]methyl]-4H-1,2,4-oxadiazol-5-one
CID 146402661
1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
CID 175418628
3-[2,6-dichloro-4-(diethoxyphosphorylmethoxy)phenoxy]-5-propan-2-yl-1H-pyridazin-6-one
CID 175072246

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one (CID 146402576) is 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one is CC(C)c1cc(Oc2c(Cl)cc(-c3cc(=O)[nH]o3)cc2Cl)n[nH]c1=O.
What is the InChIKey of 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one?
The InChIKey is JACSJOLNCNGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O4/c1-7(2)9-5-14(19-20-16(9)23)24-15-10(17)3-8(4-11(15)18)12-6-13(22)21-25-12/h3-7H,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one?
5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one has a molecular weight of 382.20 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 146402576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).