6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one

C17H15NO3 — CID 62275171

IUPAC6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C17H15NO3/c1-10-4-5-12(8-11(10)2)16(19)13-6-7-14-15(9-13)21-17(20)18(14)3/h4-9H,1-3H3
InChIKeyDSTLSBRCJQWQOU-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.98
Rot. Bonds2

About 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one

6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 62275171) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID62275171
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3C)cc1C
InChIInChI=1S/C17H15NO3/c1-10-4-5-12(8-11(10)2)16(19)13-6-7-14-15(9-13)21-17(20)18(14)3/h4-9H,1-3H3
InChIKeyDSTLSBRCJQWQOU-UHFFFAOYSA-N
XLogP2.98
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173
6-(5-iodothiophene-3-carbonyl)-3-methyl-1,3-benzoxazol-2-one
CID 79686040
6-(2,2-dimethylpropanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275157
methyl 3-methyl-2-oxo-1,3-benzoxazole-6-carboxylate
CID 15122885
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326
ethyl 2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-oxoacetate
CID 55054066
methyl N,3-dimethyl-2-oxo-1,3-benzoxazole-6-carboximidothioate
CID 116828044
3-methyl-6-[2-(methylamino)acetyl]-1,3-benzoxazol-2-one
CID 13038876
N-(2-acetamidoethyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766529
2-amino-3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-oxopropanoic acid
CID 116920547
6-(3-amino-2-chlorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 115937345
6-(4-aminobutanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341275

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one (CID 62275171) is 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one is Cc1ccc(C(=O)c2ccc3c(c2)oc(=O)n3C)cc1C.
What is the InChIKey of 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is DSTLSBRCJQWQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-10-4-5-12(8-11(10)2)16(19)13-6-7-14-15(9-13)21-17(20)18(14)3/h4-9H,1-3H3.
What are the key properties of 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one?
6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylbenzoyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62275171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).