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

C16H14ClNO — CID 94979329

IUPAC5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3c(C)c(Cl)c(C)cc3o2)cc1
InChIInChI=1S/C16H14ClNO/c1-9-4-6-12(7-5-9)16-18-15-11(3)14(17)10(2)8-13(15)19-16/h4-8H,1-3H3
InChIKeyODWXXTHNACVKHU-UHFFFAOYSA-N
MW271.75 g/mol
LogP5.07
Rot. Bonds1

About 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole

5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 94979329) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
PubChem CID94979329
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
SMILESCc1ccc(-c2nc3c(C)c(Cl)c(C)cc3o2)cc1
InChIInChI=1S/C16H14ClNO/c1-9-4-6-12(7-5-9)16-18-15-11(3)14(17)10(2)8-13(15)19-16/h4-8H,1-3H3
InChIKeyODWXXTHNACVKHU-UHFFFAOYSA-N
XLogP5.07
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.75
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole
CID 82231763
7-chloro-4-methyl-2-(4-methylphenyl)-1,3-benzoxazol-5-amine
CID 94979363
2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
CID 135830958
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393
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-chloro-3,5-dimethyl-2-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 135827920
2-[4-[3,5-bis[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]-5-methyl-1,3-benzoxazole
CID 22960109
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
6-methoxy-4-methyl-2-phenyl-1,3-benzoxazole
CID 135041622
2-[4-(chloromethyl)phenyl]-4-methyl-1,3-benzoxazole
CID 54909666

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The IUPAC name of 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole (CID 94979329) is 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole is Cc1ccc(-c2nc3c(C)c(Cl)c(C)cc3o2)cc1.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
The InChIKey is ODWXXTHNACVKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c1-9-4-6-12(7-5-9)16-18-15-11(3)14(17)10(2)8-13(15)19-16/h4-8H,1-3H3.
What are the key properties of 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole?
5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 271.75 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 94979329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).