4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole

C16H15NO — CID 82231763

IUPAC4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3c(C)cc(C)cc3o2)cc1
InChIInChI=1S/C16H15NO/c1-10-4-6-13(7-5-10)16-17-15-12(3)8-11(2)9-14(15)18-16/h4-9H,1-3H3
InChIKeyPDTAHHBHXUFYMI-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.42
Rot. Bonds1

About 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole

4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 82231763) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID82231763
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3c(C)cc(C)cc3o2)cc1
InChIInChI=1S/C16H15NO/c1-10-4-6-13(7-5-10)16-17-15-12(3)8-11(2)9-14(15)18-16/h4-9H,1-3H3
InChIKeyPDTAHHBHXUFYMI-UHFFFAOYSA-N
XLogP4.42
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
CID 135830958
5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 94979329
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
CID 145013765
2-(4-chlorophenyl)-4-methyl-1,3-benzoxazole-6-carboxylic acid
CID 172815570
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
(4,6-dimethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229697
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methylazanium
CID 7339766
2-[4-(chloromethyl)phenyl]-4-methyl-1,3-benzoxazole
CID 54909666

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole (CID 82231763) is 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2nc3c(C)cc(C)cc3o2)cc1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is PDTAHHBHXUFYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-10-4-6-13(7-5-10)16-17-15-12(3)8-11(2)9-14(15)18-16/h4-9H,1-3H3.
What are the key properties of 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 237.30 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 82231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).