5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione

C17H12ClNO3 — CID 10710339

IUPAC5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
SMILESCn1c(=O)oc2cc3c(cc21)C(c1ccccc1Cl)CC3=O
InChIInChI=1S/C17H12ClNO3/c1-19-14-6-10-11(9-4-2-3-5-13(9)18)7-15(20)12(10)8-16(14)22-17(19)21/h2-6,8,11H,7H2,1H3
InChIKeyYHLNBGMTJDZVOH-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.50
Rot. Bonds1

About 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione

5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione (PubChem CID 10710339) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
PubChem CID10710339
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione
SMILESCn1c(=O)oc2cc3c(cc21)C(c1ccccc1Cl)CC3=O
InChIInChI=1S/C17H12ClNO3/c1-19-14-6-10-11(9-4-2-3-5-13(9)18)7-15(20)12(10)8-16(14)22-17(19)21/h2-6,8,11H,7H2,1H3
InChIKeyYHLNBGMTJDZVOH-UHFFFAOYSA-N
XLogP3.50
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(8R)-8-(3-chloro-2-fluorophenyl)-1-methyl-7,8-dihydro-5H-[1,3]oxazolo[4,5-g]quinoline-2,6-dione
CID 95141736
5,6-dichloro-3-methyl-1,3-benzoxazol-2-one
CID 82184528
3-(3-chloro-2-methylphenyl)-2,3-dihydroinden-1-one
CID 70835059
3-(2,3-dichlorophenyl)-2,3-dihydroinden-1-one
CID 59581979
5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
CID 28935901
(3S)-5-chloro-3-(2-fluorophenyl)-2,3-dihydroinden-1-one
CID 129390835
5-amino-6-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
CID 90953858
4-chloro-3-methyl-1,3-benzoxazol-2-one
CID 13075595
7-cyclopropyl-3-methyl-1,3-benzoxazol-2-one
CID 121357219
(2S)-2-(2-chlorophenyl)-6-methyl-2,3-dihydrochromen-4-one
CID 804880
3-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-(2H-tetrazol-5-yl)pyrimidine-2,4-dione
CID 118065327
5-(1-benzhydryl-2-oxo-3H-indol-3-yl)-6-hydroxy-3-methyl-1,3-benzoxazol-2-one
CID 68600082

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione?
The IUPAC name of 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione (CID 10710339) is 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione?
The canonical SMILES for 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione is Cn1c(=O)oc2cc3c(cc21)C(c1ccccc1Cl)CC3=O.
What is the InChIKey of 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione?
The InChIKey is YHLNBGMTJDZVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-19-14-6-10-11(9-4-2-3-5-13(9)18)7-15(20)12(10)8-16(14)22-17(19)21/h2-6,8,11H,7H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione?
5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione has a molecular weight of 313.74 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methyl-5,6-dihydrocyclopenta[f][1,3]benzoxazole-2,7-dione is sourced from PubChem (CID 10710339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).