4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one

C17H11Cl2NO3 — CID 2904759

IUPAC4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one
SMILESCOc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1
InChIInChI=1S/C17H11Cl2NO3/c1-22-15-5-3-2-4-12(15)17-20-14(9-16(21)23-17)11-7-6-10(18)8-13(11)19/h2-9H,1H3
InChIKeyBVRBRAPHJFYVCY-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.68
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one

4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one (PubChem CID 2904759) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one
PubChem CID2904759
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one
SMILESCOc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1
InChIInChI=1S/C17H11Cl2NO3/c1-22-15-5-3-2-4-12(15)17-20-14(9-16(21)23-17)11-7-6-10(18)8-13(11)19/h2-9H,1H3
InChIKeyBVRBRAPHJFYVCY-UHFFFAOYSA-N
XLogP4.68
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)-1,3-oxazin-6-one
CID 2905734
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
CID 1049602
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
6-chloro-2-(2-methoxyphenyl)quinoline
CID 39818676
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
4-(2,4-dichlorophenyl)-1-[(2-methoxyphenyl)methyl]imidazol-2-amine;hydrochloride
CID 67113669
(4Z)-2-(2,4-dichlorophenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6520823
[5-chloro-2-(2-methoxyphenyl)phenyl]methanamine
CID 66160291
4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
CID 39826310
N-(4-chlorophenyl)-2-[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110420645
N-(5-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391768

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one (CID 2904759) is 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one is COc1ccccc1-c1nc(-c2ccc(Cl)cc2Cl)cc(=O)o1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one?
The InChIKey is BVRBRAPHJFYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-22-15-5-3-2-4-12(15)17-20-14(9-16(21)23-17)11-7-6-10(18)8-13(11)19/h2-9H,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one?
4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one has a molecular weight of 348.19 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(2-methoxyphenyl)-1,3-oxazin-6-one is sourced from PubChem (CID 2904759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).