2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

C18H11NO4 — CID 134911859

IUPAC2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1nc(C(=O)c3ccccc3)oc12
InChIInChI=1S/C18H11NO4/c1-10-9-14(20)22-16-12(10)7-8-13-17(16)23-18(19-13)15(21)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyJGJIPUCWCLOTRU-UHFFFAOYSA-N
MW305.29 g/mol
LogP3.47
Rot. Bonds2

About 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one

2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (PubChem CID 134911859) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.

Molecular Properties

Compound Name2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
PubChem CID134911859
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
SMILESCc1cc(=O)oc2c1ccc1nc(C(=O)c3ccccc3)oc12
InChIInChI=1S/C18H11NO4/c1-10-9-14(20)22-16-12(10)7-8-13-17(16)23-18(19-13)15(21)11-5-3-2-4-6-11/h2-9H,1H3
InChIKeyJGJIPUCWCLOTRU-UHFFFAOYSA-N
XLogP3.47
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-7-(diethylamino)-
CID 118870
2-Methylnaphth(2,1-d)oxazole
CID 88652
2-Methyl-6-phenylbenzoxazole
CID 653180
2H-1-Benzopyran-2-one, 3-(2-benzoxazolyl)-
CID 3237558
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 4527804
3-(1,3-Benzoxazol-2-yl)-8-methoxy-2H-chromen-2-one
CID 626179
6-Benzoxazoleacetic acid, 2-phenyl-, ethyl ester
CID 39948
2-Phenyl-1,3-benzoxazole-6-carboxylic acid
CID 10900714
Methyl 4-(6-methyl-1,3-benzoxazol-2-yl)benzoate
CID 651240
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,3-dimethylphenoxy)acetamide
CID 1333734
2-[3-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]-2-methoxyphenoxy]acetic acid
CID 9979952
N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 15987509

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The IUPAC name of 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one (CID 134911859) is 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one.
What is the SMILES notation for 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The canonical SMILES for 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is Cc1cc(=O)oc2c1ccc1nc(C(=O)c3ccccc3)oc12.
What is the InChIKey of 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
The InChIKey is JGJIPUCWCLOTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c1-10-9-14(20)22-16-12(10)7-8-13-17(16)23-18(19-13)15(21)11-5-3-2-4-6-11/h2-9H,1H3.
What are the key properties of 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one?
2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one has a molecular weight of 305.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one is sourced from PubChem (CID 134911859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).