[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C18H12Cl2N2O3 — CID 84553156

IUPAC[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ccccc21
InChIInChI=1S/C18H12Cl2N2O3/c19-12-6-5-11(9-13(12)20)17-21-14(10-25-17)18(23)22-7-8-24-16-4-2-1-3-15(16)22/h1-6,9-10H,7-8H2
InChIKeyJHTCYXWRUCOGJV-UHFFFAOYSA-N
MW375.21 g/mol
LogP4.69
Rot. Bonds2

About [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone

[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 84553156) has the molecular formula C18H12Cl2N2O3 and a molecular weight of 375.21 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID84553156
Molecular FormulaC18H12Cl2N2O3
Molecular Weight375.21 g/mol
Exact Mass374.02
IUPAC Name[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESO=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ccccc21
InChIInChI=1S/C18H12Cl2N2O3/c19-12-6-5-11(9-13(12)20)17-21-14(10-25-17)18(23)22-7-8-24-16-4-2-1-3-15(16)22/h1-6,9-10H,7-8H2
InChIKeyJHTCYXWRUCOGJV-UHFFFAOYSA-N
XLogP4.69
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 84553156) is [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is O=C(c1coc(-c2ccc(Cl)c(Cl)c2)n1)N1CCOc2ccccc21.
What is the InChIKey of [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is JHTCYXWRUCOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O3/c19-12-6-5-11(9-13(12)20)17-21-14(10-25-17)18(23)22-7-8-24-16-4-2-1-3-15(16)22/h1-6,9-10H,7-8H2.
What are the key properties of [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 375.21 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 84553156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).