3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one

C15H13NO2 — CID 134527822

IUPAC3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
SMILESCc1ccc(-c2ccc3oc(=O)n(C)c3c2)cc1
InChIInChI=1S/C15H13NO2/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2)15(17)18-14/h3-9H,1-2H3
InChIKeyKBZSOIRHGOGKJY-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.11
Rot. Bonds1

About 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one

3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one (PubChem CID 134527822) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
PubChem CID134527822
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
SMILESCc1ccc(-c2ccc3oc(=O)n(C)c3c2)cc1
InChIInChI=1S/C15H13NO2/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2)15(17)18-14/h3-9H,1-2H3
InChIKeyKBZSOIRHGOGKJY-UHFFFAOYSA-N
XLogP3.11
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1,3-benzoxazol-2-one
CID 13117589
3,5-dimethyl-1,3-benzoxazol-2-one;methane
CID 160664134
3-amino-3-methylsulfanylpropanenitrile;3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one
CID 170754533
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)furan-2-carbaldehyde
CID 169332554
3-methyl-5-(2-oxo-1,3-dihydroimidazol-4-yl)-1,3-benzoxazol-2-one
CID 116879745
5-(dimethylamino)-3-methyl-1,3-benzoxazol-2-one
CID 117043635
5-(3-chloro-1,2,4-triazin-6-yl)-3-methyl-1,3-benzoxazol-2-one
CID 169260365
(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylazanium
CID 143272906
ethane;3-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]-2-(methylsulfanylamino)propanenitrile
CID 170754542
5-[amino(bromo)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116947662
5-[amino(hydroxy)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 116939680
3-methyl-2-oxo-1,3-benzoxazole-5-carboxamide
CID 82491054

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one (CID 134527822) is 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one is Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)cc1.
What is the InChIKey of 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one?
The InChIKey is KBZSOIRHGOGKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-3-5-11(6-4-10)12-7-8-14-13(9-12)16(2)15(17)18-14/h3-9H,1-2H3.
What are the key properties of 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one?
3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one has a molecular weight of 239.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-methylphenyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 134527822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).