5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione

C16H8ClNO3 — CID 11011944

IUPAC5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)c2cc3[nH]c(=O)oc3cc21
InChIInChI=1S/C16H8ClNO3/c17-9-3-1-8(2-4-9)10-6-14(19)12-7-15-13(5-11(10)12)18-16(20)21-15/h1-7H,(H,18,20)
InChIKeyADGXYANHVQYBOZ-UHFFFAOYSA-N
MW297.70 g/mol
LogP3.40
Rot. Bonds1

About 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione

5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione (PubChem CID 11011944) has the molecular formula C16H8ClNO3 and a molecular weight of 297.70 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione
PubChem CID11011944
Molecular FormulaC16H8ClNO3
Molecular Weight297.70 g/mol
Exact Mass297.02
IUPAC Name5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione
SMILESO=C1C=C(c2ccc(Cl)cc2)c2cc3[nH]c(=O)oc3cc21
InChIInChI=1S/C16H8ClNO3/c17-9-3-1-8(2-4-9)10-6-14(19)12-7-15-13(5-11(10)12)18-16(20)21-15/h1-7H,(H,18,20)
InChIKeyADGXYANHVQYBOZ-UHFFFAOYSA-N
XLogP3.40
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,7-dihydro-[1,3]oxazolo[5,4-f][1,3]benzoxazole-2,6-dione
CID 102579895
6-chloro-5-fluoro-3H-1,3-benzoxazol-2-one
CID 58343933
5-chloro-6-[(5-chloro-2-oxo-3H-1,3-benzoxazol-6-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 169443599
CID 67925044
CID 67925044
5,6-difluoro-3H-1,3-benzoxazol-2-one
CID 11535637
5-chloro-6-hydroxy-3H-1,3-benzoxazol-2-one
CID 171035252
13-(4-chlorophenyl)-11-methyl-5-oxa-7,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,12,14,16,18-octaen-6-one
CID 46186822
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
6-amino-5-(2-bromo-4-chloroanilino)-3H-1,3-benzoxazol-2-one
CID 115425809
N-[3-(4-chlorophenyl)-6-methoxy-1-oxoinden-5-yl]methanesulfonamide
CID 10981354
5-[(2-bromo-5-chlorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 66160922
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione?
The IUPAC name of 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione (CID 11011944) is 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione is O=C1C=C(c2ccc(Cl)cc2)c2cc3[nH]c(=O)oc3cc21.
What is the InChIKey of 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione?
The InChIKey is ADGXYANHVQYBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClNO3/c17-9-3-1-8(2-4-9)10-6-14(19)12-7-15-13(5-11(10)12)18-16(20)21-15/h1-7H,(H,18,20).
What are the key properties of 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione?
5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione has a molecular weight of 297.70 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3H-cyclopenta[f][1,3]benzoxazole-2,7-dione is sourced from PubChem (CID 11011944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).