5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one

C15H8Cl2N2O4 — CID 169443599

IUPAC5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cc3cc4oc(=O)[nH]c4cc3Cl)cc2o1
InChIInChI=1S/C15H8Cl2N2O4/c16-8-4-10-12(22-14(20)18-10)2-6(8)1-7-3-13-11(5-9(7)17)19-15(21)23-13/h2-5H,1H2,(H,18,20)(H,19,21)
InChIKeyABJNROJIXGPUMI-UHFFFAOYSA-N
MW351.15 g/mol
LogP3.45
Rot. Bonds2

About 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one

5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 169443599) has the molecular formula C15H8Cl2N2O4 and a molecular weight of 351.15 g/mol. Its IUPAC name is 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
PubChem CID169443599
Molecular FormulaC15H8Cl2N2O4
Molecular Weight351.15 g/mol
Exact Mass349.99
IUPAC Name5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Cc3cc4oc(=O)[nH]c4cc3Cl)cc2o1
InChIInChI=1S/C15H8Cl2N2O4/c16-8-4-10-12(22-14(20)18-10)2-6(8)1-7-3-13-11(5-9(7)17)19-15(21)23-13/h2-5H,1H2,(H,18,20)(H,19,21)
InChIKeyABJNROJIXGPUMI-UHFFFAOYSA-N
XLogP3.45
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.15
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one with MolForge

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Related Compounds

5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
CID 67925044
CID 67925044
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
5-chloro-6-phenoxy-3H-1,3-benzoxazol-2-one
CID 13477438
5-chloro-6-(3-fluorobenzoyl)-3H-1,3-benzoxazol-2-one
CID 10266302
5-chloro-6-[(4-methoxyphenyl)methoxy]-3H-1,3-benzoxazol-2-one
CID 67223805
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
5-butyl-6-ethyl-3H-1,3-benzoxazol-2-one
CID 142177691
5-chloro-6-(oxetan-3-ylmethoxy)-3H-1,3-benzoxazol-2-one
CID 144865748
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one (CID 169443599) is 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cc(Cl)c(Cc3cc4oc(=O)[nH]c4cc3Cl)cc2o1.
What is the InChIKey of 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is ABJNROJIXGPUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O4/c16-8-4-10-12(22-14(20)18-10)2-6(8)1-7-3-13-11(5-9(7)17)19-15(21)23-13/h2-5H,1H2,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one?
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 351.15 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 169443599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).